UCSF

ZINC17123461

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 36 No

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

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Other Names:

MFCD03274546

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) 2.79 8.41 -57.77 0 8 -1 95 492.596 10 ↓
Mid Mid (pH 6-8) 2.79 10.74 -78.14 1 8 0 96 493.604 10 ↓

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