UCSF

ZINC08438672

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 No

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

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Other Names:

MFCD03779424

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) 2.32 5.42 -63.12 1 7 -1 99 430.864 9 ↓
Mid Mid (pH 6-8) 2.77 -3.18 -31.3 2 7 0 96 431.872 8 ↓
Mid Mid (pH 6-8) 1.74 -2.97 -20.38 1 7 0 93 431.872 9 ↓

Activity (Go SEA)

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