UCSF

ZINC08743797

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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 6.8 -57.54 0 8 -1 95 462.526 10 ↓
Mid Mid (pH 6-8) 2.38 9.41 -53.26 2 8 1 93 464.542 9 ↓
Mid Mid (pH 6-8) 1.94 9.14 -78.33 1 8 0 96 463.534 10 ↓
Lo Low (pH 4.5-6) 2.38 9.69 -105.52 3 8 2 95 465.55 9 ↓

Activity (Go SEA)

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