UCSF

ZINC05409071

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Substance Information

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

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

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Other Names:

MFCD03044354

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) 2.57 5.46 -68.71 1 6 -1 90 380.42 6 ↓
Mid Mid (pH 6-8) 3.01 -1.68 -16.99 2 6 0 87 381.428 5 ↓
Lo Low (pH 4.5-6) 2.57 4.64 -16.85 2 6 0 87 381.428 6 ↓

Activity (Go SEA)

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