UCSF

ZINC13127790

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Substance Information

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

Popular Name: 2-[(7R)-5-oxo-7-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindoline-1,3-dione 2-[(7R)-5-oxo-7-phenyl-6,7-dihyd…

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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) 2.28 11.27 -18.72 1 8 0 99 359.345 2 ↓
Hi High (pH 8-9.5) 2.46 9.26 -61.35 0 8 -1 105 358.337 2 ↓
Lo Low (pH 4.5-6) 2.46 11.06 -31.9 2 8 1 104 360.353 2 ↓

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