UCSF

ZINC09507451

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 35 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-4-{4-[(3-methylbenzyl)oxy]benzoyl}-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-(2-methoxyethyl)-4-{…

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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) 4.89 12.28 -44.36 0 6 -1 79 470.545 9 ↓
Mid Mid (pH 6-8) 5.33 11.3 -27.06 1 6 0 76 471.553 8 ↓
Mid Mid (pH 6-8) 4.30 12.34 -17.46 0 6 0 73 471.553 9 ↓

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