UCSF

ZINC01246341

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 28 No

Popular Name: 1-(5,7-Diphenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-2,5-pyrrolidinedione; 2,5-Pyrrolidinedione, 1-(5,7-diphenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-; LS-137670; N-(5,7-Diphenyl-4,7-dihydro-1,2,4-triazolo(1,5-a)pyrimidin-2-yl)su 1-(5,7-Diphenyl-4,7-dihydro-(1,2…

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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) 1.64 13.98 -27.44 0 7 0 80 371.4 3 ↓
Hi High (pH 8-9.5) 1.64 14.71 -63.37 0 7 -1 82 370.392 3 ↓
Mid Mid (pH 6-8) 1.64 15.2 -28.64 2 7 1 85 372.408 3 ↓
Mid Mid (pH 6-8) 1.64 14.3 -42.45 1 7 1 82 372.408 3 ↓
Lo Low (pH 4.5-6) 1.64 14.46 -29.9 1 7 1 82 372.408 3 ↓

Activity (Go SEA)

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