UCSF

ZINC09177588

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 34 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-3-methy…

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Other Names:

MFCD03292249

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) 4.10 11.34 -59.27 0 6 -1 83 455.534 8 ↓
Mid Mid (pH 6-8) 4.54 1.14 -12.14 1 6 0 79 456.542 7 ↓
Lo Low (pH 4.5-6) 4.54 12.15 -44.19 2 6 1 81 457.55 7 ↓

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