UCSF

ZINC09380183

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 No

Popular Name: 5-(4-chlorophenyl)-3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-1-(2-methoxyethyl)-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) 4.60 10.97 -40.32 0 6 -1 79 456.946 9 ↓
Mid Mid (pH 6-8) 5.04 10.44 -18.51 1 6 0 76 457.954 8 ↓
Mid Mid (pH 6-8) 4.01 0.48 -20.83 0 6 0 72 457.954 9 ↓

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