UCSF

ZINC09046687

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 27 No

Popular Name: 5-(4-bromophenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-bromophenyl)-3-hydroxy-1-(2…

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Other Names:

MFCD02160219

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) 2.61 5.17 -57.86 1 6 -1 90 431.262 6 ↓
Mid Mid (pH 6-8) 2.03 5.25 -14.42 1 6 0 84 432.27 6 ↓
Mid Mid (pH 6-8) 3.06 4.68 -14.95 2 6 0 87 432.27 5 ↓

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