UCSF

ZINC09122096

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 36 No

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

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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) 2.73 5.9 -62.1 0 9 -1 101 495.552 10 ↓
Mid Mid (pH 6-8) 2.14 8.77 -49.29 1 9 1 96 497.568 10 ↓
Mid Mid (pH 6-8) 3.17 8.94 -49.67 2 9 1 99 497.568 9 ↓
Mid Mid (pH 6-8) 2.73 8.3 -72.57 1 9 0 102 496.56 10 ↓

Activity (Go SEA)

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