UCSF

ZINC13596824

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 No

Popular Name: 5-(4-bromophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-bromophenyl)-3-hydroxy-1-[3…

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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) 3.23 7.58 -56.87 0 6 -1 73 490.399 7 ↓
Mid Mid (pH 6-8) 3.68 8.84 -62.48 2 6 1 71 492.415 6 ↓
Mid Mid (pH 6-8) 3.23 9.91 -77.15 1 6 0 74 491.407 7 ↓

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