UCSF

ZINC33893001

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 No

Popular Name: (3aS,4R,6S,6aR)-6-benzyl-4-(o-tolyl)-1,3-dioxo-2-(2-pyridylmethyl)-3a,4,5,6a-tetrahydropyrrolo[3,4-c (3aS,4R,6S,6aR)-6-benzyl-4-(o-to…

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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) 0.57 11.64 -63.85 1 7 -1 102 454.506 6 ↓
Mid Mid (pH 6-8) 0.57 11.68 -44.85 2 7 0 107 455.514 6 ↓
Mid Mid (pH 6-8) 0.57 12.71 -51.55 2 7 0 107 455.514 6 ↓

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