UCSF

ZINC09339527

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 31 No

Popular Name: 4-[hydroxy-(p-tolyl)methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)-pyrrolidine-2,3- 4-[hydroxy-(p-tolyl)methylene]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 10.39 -51.33 0 9 -1 132 435.441 5 ↓
Mid Mid (pH 6-8) 2.91 10.36 -15.44 1 9 0 129 436.449 5 ↓
Mid Mid (pH 6-8) 2.33 0.95 -14.79 0 9 0 126 436.449 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )