UCSF

ZINC09086130

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 No

Popular Name: 5-(4-ethylphenyl)-3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one 5-(4-ethylphenyl)-3-hydroxy-4-(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) 4.45 10.23 -63.47 0 6 -1 79 436.528 9 ↓
Mid Mid (pH 6-8) 3.87 10.21 -23.34 0 6 0 73 437.536 9 ↓
Mid Mid (pH 6-8) 4.89 9.22 -29.05 1 6 0 76 437.536 8 ↓

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