UCSF

ZINC33613422

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 No

Popular Name: (3aS,4R,6R,6aS)-4-(4-cyanophenyl)-6-[(4-hydroxyphenyl)methyl]-2-(3-nitrophenyl)-1,3-dioxo-3a,4,5,6a- (3aS,4R,6R,6aS)-4-(4-cyanophenyl…

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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) 0.85 9.71 -48.67 2 11 -1 179 511.47 6 ↓
Lo Low (pH 4.5-6) 0.85 10.45 -46.33 3 11 0 184 512.478 6 ↓
Lo Low (pH 4.5-6) 0.85 10.82 -39.22 3 11 0 184 512.478 6 ↓

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