UCSF

ZINC33772310

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 No

Popular Name: (1R,3R,3aS,6aS)-3-isopropyl-1-(2-naphthyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrr (1R,3R,3aS,6aS)-3-isopropyl-1-(2…

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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) 2.14 12.68 -38.83 2 6 0 94 428.488 4 ↓
Hi High (pH 8-9.5) 2.14 10.42 -45.2 1 6 -1 90 427.48 4 ↓
Mid Mid (pH 6-8) 2.14 11.72 -47.87 1 6 -1 90 427.48 4 ↓

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