UCSF

ZINC08433291

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 41 No

Popular Name: 3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-1-(2-morpholin-4-ylethyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(2-methyl-4-propoxyb…

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Other Names:

MFCD03462228

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 5.30 0.13 -47.56 2 8 1 89 557.667 11 ↓
Mid Mid (pH 6-8) 5.74 -0.33 -57.67 2 8 1 89 557.667 10 ↓
Mid Mid (pH 6-8) 4.71 0.06 -56.05 1 8 1 86 557.667 11 ↓

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