UCSF

ZINC08384179

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 36 No

Popular Name: 5-[3-(allyloxy)phenyl]-3-hydroxy-4-(4-propoxybenzoyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-3-hydroxy…

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Other Names:

MFCD04148039

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) 4.10 11.16 -40.7 0 7 -1 92 483.544 11 ↓
Mid Mid (pH 6-8) 4.55 -0.39 -26.71 1 7 0 88 484.552 10 ↓
Mid Mid (pH 6-8) 3.52 -0.09 -22.49 0 7 0 85 484.552 11 ↓
Lo Low (pH 4.5-6) 4.55 -0.28 -53.98 2 7 1 90 485.56 10 ↓
Lo Low (pH 4.5-6) 3.52 0.02 -52.24 1 7 1 87 485.56 11 ↓

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