UCSF

ZINC08743798

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 34 No

Popular Name: 4-[4-(allyloxy)benzoyl]-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-3-hydrox…

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Other Names:

MFCD03501926

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) 1.94 6.93 -57.31 0 8 -1 95 462.526 10 ↓
Mid Mid (pH 6-8) 2.38 8.54 -48.3 2 8 1 93 464.542 9 ↓
Mid Mid (pH 6-8) 1.35 9.3 -53.64 1 8 1 90 464.542 10 ↓
Mid Mid (pH 6-8) 1.94 9.26 -79.92 1 8 0 96 463.534 10 ↓
Lo Low (pH 4.5-6) 2.38 8.83 -110.51 3 8 2 95 465.55 9 ↓
Lo Low (pH 4.5-6) 1.35 9.58 -105.29 2 8 2 91 465.55 10 ↓

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