UCSF

ZINC09272152

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 No

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

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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) 4.54 12.52 -40.74 0 6 -1 83 469.561 8 ↓
Mid Mid (pH 6-8) 4.99 11.89 -29.82 1 6 0 80 470.569 7 ↓
Lo Low (pH 4.5-6) 4.99 12.17 -54.75 2 6 1 81 471.577 7 ↓

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