UCSF

ZINC65532696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 4-(4-bromobenzoyl)-5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-bromobenzoyl)-5-(4-bromophe…

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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) 1.23 7.28 -43.39 2 6 1 63 357.478 5 ↓
Mid Mid (pH 6-8) 1.23 6.76 -13.42 1 6 0 62 356.47 5 ↓
Mid Mid (pH 6-8) 1.23 9.41 -80.41 3 6 2 64 358.486 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.