UCSF

ZINC09425131

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 30 No

Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one 5-(2,5-dimethoxyphenyl)-3-hydrox…

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Other Names:

MFCD04028560

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) 1.58 3.29 -73.79 1 8 -1 108 432.474 10 ↓
Mid Mid (pH 6-8) 0.99 -3.1 -21.3 1 8 0 102 433.482 10 ↓
Mid Mid (pH 6-8) 2.02 2.87 -20.52 2 8 0 106 433.482 9 ↓

Activity (Go SEA)

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