UCSF

ZINC08440200

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 4-(3-ethoxybenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(3-ethoxybenzoyl)-3-hydroxy-5-…

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Other Names:

MFCD03837894

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) 2.39 6.29 -62.8 1 7 -1 103 429.452 7 ↓
Mid Mid (pH 6-8) 2.84 -2.53 -28.77 2 7 0 99 430.46 6 ↓
Mid Mid (pH 6-8) 1.81 -2.26 -25.17 1 7 0 96 430.46 7 ↓
Lo Low (pH 4.5-6) 2.84 -2.42 -61.02 3 7 1 101 431.468 6 ↓
Lo Low (pH 4.5-6) 1.81 -2.15 -66.55 2 7 1 98 431.468 7 ↓

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