UCSF

ZINC19882571

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 No

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

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Other Names:

MFCD02995683

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) 1.83 5.56 -57.49 0 7 -1 86 471.331 6 ↓
Mid Mid (pH 6-8) 1.83 7.96 -76.06 1 7 0 87 472.339 6 ↓
Lo Low (pH 4.5-6) 1.83 7.14 -59.76 2 7 1 84 473.347 6 ↓

Activity (Go SEA)

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