UCSF

ZINC09046847

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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 12.14 -62.87 0 6 -1 83 455.534 8 ↓
Lo Low (pH 4.5-6) 4.54 1.22 -46.13 2 6 1 80 457.55 7 ↓
Lo Low (pH 4.5-6) 4.10 11.32 -16.78 1 6 0 80 456.542 8 ↓

Activity (Go SEA)

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