UCSF

ZINC09424861

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-4-{4-[(2-methylbenzyl)oxy]benzoyl}-5-(4-pyridinyl)-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) 3.13 10.14 -42.35 0 7 -1 92 457.506 9 ↓
Mid Mid (pH 6-8) 3.57 8.71 -32.09 1 7 0 89 458.514 8 ↓
Lo Low (pH 4.5-6) 3.57 8.99 -71.35 2 7 1 90 459.522 8 ↓

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