UCSF

ZINC09019768

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 36 No

Popular Name: 5-(4-ethylphenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-pyridylmethyl)-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) 5.01 13.28 -40.42 0 6 -1 83 483.588 9 ↓
Mid Mid (pH 6-8) 4.43 13.63 -22.79 0 6 0 77 484.596 9 ↓
Mid Mid (pH 6-8) 5.46 12.65 -29.68 1 6 0 80 484.596 8 ↓
Lo Low (pH 4.5-6) 5.46 12.93 -54.68 2 6 1 81 485.604 8 ↓
Lo Low (pH 4.5-6) 4.43 13.91 -58.64 1 6 1 78 485.604 9 ↓

Activity (Go SEA)

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