UCSF

ZINC09272353

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 36 No

Popular Name: 4-(4-butoxy-2-methylbenzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-2-methylbenzoyl)-5-(…

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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) 5.33 13.14 -40.29 0 6 -1 83 483.588 10 ↓
Mid Mid (pH 6-8) 5.77 12.99 -19.96 1 6 0 80 484.596 9 ↓
Mid Mid (pH 6-8) 4.74 0.68 -23.57 0 6 0 76 484.596 10 ↓
Lo Low (pH 4.5-6) 5.77 13.27 -41.36 2 6 1 81 485.604 9 ↓
Lo Low (pH 4.5-6) 4.74 0.79 -49.54 1 6 1 77 485.604 10 ↓

Activity (Go SEA)

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