UCSF

ZINC05408751

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 No

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

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Other Names:

MFCD02159108

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) 1.76 2.88 -59.86 2 7 -1 110 402.81 6 ↓
Mid Mid (pH 6-8) 2.21 -3.97 -22.38 3 7 0 107 403.818 5 ↓
Mid Mid (pH 6-8) 1.18 -4.3 -16.26 2 7 0 104 403.818 6 ↓

Activity (Go SEA)

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