UCSF

ZINC05045131

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 27 No

Popular Name: 5-(4-chlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-[(5-methyl-2-furyl)carbonyl]-5H-pyrrol-2-one 5-(4-chlorophenyl)-3-hydroxy-1-(…

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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) 2.79 7.52 -59.08 0 6 -1 83 388.827 7 ↓
Mid Mid (pH 6-8) 2.21 7.79 -18.93 0 6 0 77 389.835 7 ↓
Mid Mid (pH 6-8) 3.24 6.79 -29.31 1 6 0 80 389.835 6 ↓

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