UCSF

ZINC09994365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 36 No

Popular Name: 3-hydroxy-5-(4-isopropylphenyl)-4-(2-methyl-4-propoxy-benzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-isopropylphenyl)-…

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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) 5.36 13.27 -62.46 0 6 -1 83 483.588 9 ↓
Mid Mid (pH 6-8) 4.78 0.96 -22.91 0 6 0 76 484.596 9 ↓
Lo Low (pH 4.5-6) 5.36 1.11 -41.08 2 6 1 80 485.604 9 ↓
Lo Low (pH 4.5-6) 4.78 1.07 -49.08 1 6 1 77 485.604 9 ↓

Activity (Go SEA)

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