UCSF

ZINC13124838

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 No

Popular Name: 2-[(7S)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindoline-1,3-dione 2-[(7S)-5-methyl-7-phenyl-1,7-di…

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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) 3.48 13.05 -26.12 0 7 0 82 357.373 2 ↓
Hi High (pH 8-9.5) 3.87 14.08 -20.96 1 7 0 85 357.373 2 ↓
Lo Low (pH 4.5-6) 3.87 14.3 -24.52 2 7 1 87 358.381 2 ↓

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