UCSF

ZINC13131076

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 No

Popular Name: N-[(7R)-5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide N-[(7R)-5,7-diphenyl-1,7-dihydro…

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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) 2.98 11.62 -36.98 3 6 1 77 332.387 3 ↓
Ref Reference (pH 7) 2.64 12.93 -21.81 1 6 0 72 331.379 3 ↓
Hi High (pH 8-9.5) 2.64 13.44 -16.36 2 6 0 75 331.379 3 ↓
Mid Mid (pH 6-8) 2.64 13.26 -38.78 2 6 1 74 332.387 3 ↓
Mid Mid (pH 6-8) 3.16 12.14 -94.38 4 6 2 82 333.395 3 ↓
Mid Mid (pH 6-8) 3.16 11.58 -32.15 2 6 1 77 332.387 3 ↓
Lo Low (pH 4.5-6) 2.64 13.64 -31.82 3 6 1 77 332.387 3 ↓

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