UCSF

ZINC08384125

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 34 No

Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-1…

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Other Names:

MFCD04088675

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) 4.67 10.25 -58.66 0 7 -1 88 466.554 13 ↓
Mid Mid (pH 6-8) 4.08 -0.13 -22.34 0 7 0 82 467.562 13 ↓
Mid Mid (pH 6-8) 5.11 -0.4 -27.06 1 7 0 85 467.562 12 ↓

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