UCSF

ZINC15919920

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 No

Popular Name: (5R)-4-(4-bromobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-3-hydrox…

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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) 1.89 2.49 -59.42 2 7 -1 110 447.261 6 ↓
Mid Mid (pH 6-8) 2.34 2 -28.19 3 7 0 107 448.269 5 ↓
Mid Mid (pH 6-8) 1.31 3.02 -17.86 2 7 0 104 448.269 6 ↓

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