UCSF

ZINC08384602

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 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 -0.87 -58.67 2 8 1 93 464.542 10 ↓
Mid Mid (pH 6-8) 1.35 -1.04 -68.04 1 8 1 90 464.542 10 ↓
Lo Low (pH 4.5-6) 2.38 -1.14 -124.5 3 8 2 94 465.55 9 ↓
Lo Low (pH 4.5-6) 1.35 -0.93 -125.16 2 8 2 91 465.55 10 ↓

Activity (Go SEA)

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