UCSF

ZINC08438677

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 No

Popular Name: 4-(4-bromobenzoyl)-5-(2-chlorophenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-1,5-dihydro-2H-pyrrol-2-one 4-(4-bromobenzoyl)-5-(2-chloroph…

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Other Names:

MFCD03779458

Download: MOL2 SDF SMILES Flexibase

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) 3.08 6.38 -59.53 1 6 -1 90 479.734 8 ↓
Mid Mid (pH 6-8) 3.52 -4.17 -29.48 2 6 0 87 480.742 7 ↓
Mid Mid (pH 6-8) 2.49 -3.87 -19.85 1 6 0 83 480.742 8 ↓

Activity (Go SEA)

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