UCSF

ZINC09271678

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

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

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Other Names:

MFCD03501532

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) 1.43 4.81 -60.65 0 9 -1 105 455.487 9 ↓
Mid Mid (pH 6-8) 1.87 0.25 -54.05 2 9 1 102 457.503 8 ↓
Mid Mid (pH 6-8) 1.43 7.14 -80.54 1 9 0 106 456.495 9 ↓

Activity (Go SEA)

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