{"ymdb_id":"YMDB02307","created_at":"2012-06-08T21:50:36.000Z","updated_at":"2016-09-08T18:37:49.000Z","name":"1,2-butandiol","cas":null,"state":null,"melting_point":null,"description":"A butanediol compound having two hydroxy groups in the 1- and 2-positions.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"52682","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"butane-1,2-diol","traditional_iupac":"1,2-butanediol","logp":"-0.2695816610000002","pka":"15.802360153466974","alogps_solubility":"6.90e+02 g/l","alogps_logp":"-0.48","alogps_logs":"0.88","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"40.46","refractivity":"23.496399999999998","polarizability":"9.962759571560365","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9354489323072652","pka_strongest_acidic":"14.274911591474616","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,2-(Dihydroxy)butane","1,2-Butandiol","1,2-Butanediol","1,2-Butylene glycol","1,2-Dihydroxybutane","alpha-Butylene glycol","alpha-Butyleneglycol","Ethylethylene glycol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}