UCSF

ZINC21540929

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 No

Popular Name: (1R,3S,3aS,6aS)-3-benzyl-1,5-bis(4-fluorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[4,3-c]pyrrole (1R,3S,3aS,6aS)-3-benzyl-1,5-bis…

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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) 1.97 11.5 -52.02 1 6 -1 90 461.444 5 ↓
Ref Reference (pH 7) 1.97 12.64 -62.56 1 6 -1 90 461.444 5 ↓
Mid Mid (pH 6-8) 1.97 12.41 -45.57 2 6 0 94 462.452 5 ↓
Mid Mid (pH 6-8) 1.97 13.56 -57.06 2 6 0 94 462.452 5 ↓

Activity (Go SEA)

Rings

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