UCSF

ZINC01117392

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 No

Popular Name: (5R)-4-benzoyl-5-(3,4-dichlorophenyl)-2-keto-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-pyrrolin-3-olat (5R)-4-benzoyl-5-(3,4-dichloroph…

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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) 4.04 9.82 -55.93 0 5 -1 70 431.295 5 ↓
Mid Mid (pH 6-8) 4.48 8.77 -24.37 1 5 0 67 432.303 4 ↓
Mid Mid (pH 6-8) 3.45 9.77 -19.66 0 5 0 64 432.303 5 ↓

Activity (Go SEA)

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