UCSF

ZINC08744148

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxybenzoyl…

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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) 3.36 9.24 -55.98 0 8 -1 105 464.523 7 ↓
Mid Mid (pH 6-8) 3.80 8.59 -18.41 1 8 0 102 465.531 6 ↓
Mid Mid (pH 6-8) 2.78 9.55 -12.88 0 8 0 99 465.531 7 ↓

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