UCSF

ZINC08441712

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 43 No

Popular Name: 4-(1-benzofuran-2-ylcarbonyl)-5-[4-(benzyloxy)phenyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 4-(1-benzofuran-2-ylcarbonyl)-5-…

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Other Names:

MFCD04147980

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) 7.65 0.24 -18.04 1 7 0 92 586.669 7 ↓
Ref Reference (pH 7) 7.65 16.91 -66.92 0 7 -1 96 585.661 7 ↓
Mid Mid (pH 6-8) 7.07 0.07 -22.7 0 7 0 89 586.669 7 ↓

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