UCSF

ZINC04103564

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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 6.04 -63 1 6 -1 90 380.42 6 ↓
Lo Low (pH 4.5-6) 2.57 5.35 -13.05 2 6 0 87 381.428 6 ↓

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