UCSF

ZINC09374324

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

Popular Name: 5-(4-chlorophenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 5-(4-chlorophenyl)-3-hydroxy-4-(…

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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) 4.87 10.89 -59.02 0 6 -1 79 470.973 10 ↓
Mid Mid (pH 6-8) 5.31 10.24 -26.93 1 6 0 76 471.981 9 ↓
Mid Mid (pH 6-8) 4.28 11.24 -19.44 0 6 0 73 471.981 10 ↓

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