UCSF

ZINC09462480

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 No

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

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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) 4.56 13.67 -60 0 6 -1 83 489.551 8 ↓
Mid Mid (pH 6-8) 5.01 11.79 -29.39 1 6 0 80 490.559 7 ↓
Mid Mid (pH 6-8) 3.98 12.76 -26.7 0 6 0 77 490.559 8 ↓
Lo Low (pH 4.5-6) 5.01 12.08 -54.6 2 6 1 81 491.567 7 ↓
Lo Low (pH 4.5-6) 3.98 13.05 -54.45 1 6 1 78 491.567 8 ↓

Activity (Go SEA)

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