UCSF

ZINC33728961

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 No

Popular Name: (1R,3R,3aS,6aS)-5-(4-fluorophenyl)-3-isobutyl-1-(4-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrol (1R,3R,3aS,6aS)-5-(4-fluoropheny…

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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) 1.61 12.66 -46.12 2 9 0 140 455.442 6 ↓
Mid Mid (pH 6-8) 1.61 11.95 -43.46 1 9 -1 135 454.434 6 ↓
Mid Mid (pH 6-8) 1.61 10.65 -38.07 1 9 -1 135 454.434 6 ↓

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