UCSF

ZINC08857867

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 No

Popular Name: 3-hydroxy-4-(4-methylbenzoyl)-5-(3-propoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-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) 3.90 10.98 -44.96 0 6 -1 83 441.507 8 ↓
Mid Mid (pH 6-8) 3.32 0.14 -18.14 0 6 0 76 442.515 8 ↓
Lo Low (pH 4.5-6) 3.32 0.25 -60.71 1 6 1 77 443.523 8 ↓

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