UCSF

ZINC05918870

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 34 No

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

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Other Names:

MFCD03861300

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) 3.46 7.87 -62.39 1 7 -1 103 457.506 9 ↓
Mid Mid (pH 6-8) 3.90 -2.34 -28.49 2 7 0 99 458.514 8 ↓
Mid Mid (pH 6-8) 2.87 -2.07 -24.96 1 7 0 96 458.514 9 ↓
Lo Low (pH 4.5-6) 3.90 -2.23 -60.94 3 7 1 101 459.522 8 ↓
Lo Low (pH 4.5-6) 2.87 -1.95 -66.4 2 7 1 98 459.522 9 ↓

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