UCSF

ZINC33887995

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 38 No

Popular Name: (3aS,4R,6S,6aR)-6-(cyclohexylmethyl)-4-(2-hydroxy-3-methoxy-phenyl)-2-(3-nitrophenyl)-1,3-dioxo-3a,4 (3aS,4R,6S,6aR)-6-(cyclohexylmet…

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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) 2.06 11.36 -55.19 3 11 0 169 523.542 7 ↓
Hi High (pH 8-9.5) 2.06 11.69 -61.87 2 11 -1 172 522.534 7 ↓
Hi High (pH 8-9.5) 2.06 11.26 -69.84 2 11 -1 165 522.534 7 ↓

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