UCSF

ZINC33864423

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 36 No

Popular Name: (3aS,4S,6R,6aR)-6-[(4-nitrophenyl)methyl]-2-(o-tolyl)-1,3-dioxo-4-(2-pyridyl)-3a,4,5,6a-tetrahydropy (3aS,4S,6R,6aR)-6-[(4-nitropheny…

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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) 0.83 11.76 -49.62 1 10 -1 148 485.476 6 ↓
Lo Low (pH 4.5-6) 0.83 11.98 -63.87 2 10 0 149 486.484 6 ↓
Lo Low (pH 4.5-6) 0.83 11.97 -63.84 2 10 0 149 486.484 6 ↓

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