UCSF

ZINC09123063

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 No

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

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Other Names:

MFCD03501909

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) 2.48 6.39 -59.61 0 8 -1 95 451.499 10 ↓
Mid Mid (pH 6-8) 1.90 8.9 -49.09 1 8 1 90 453.515 10 ↓
Mid Mid (pH 6-8) 2.93 9.01 -49.44 2 8 1 94 453.515 9 ↓
Mid Mid (pH 6-8) 2.48 8.72 -79.05 1 8 0 96 452.507 10 ↓

Activity (Go SEA)

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