UCSF

ZINC13127677

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 Yes

Popular Name: N-[(7S)-7-(4-fluorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide N-[(7S)-7-(4-fluorophenyl)-5-phe…

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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) 2.80 12.58 -23.52 1 6 0 72 349.369 3 ↓
Hi High (pH 8-9.5) 2.80 13.52 -16.4 2 6 0 75 349.369 3 ↓
Mid Mid (pH 6-8) 2.80 12.9 -42.39 2 6 1 74 350.377 3 ↓
Mid Mid (pH 6-8) 3.33 12.68 -98.43 4 6 2 82 351.385 3 ↓
Mid Mid (pH 6-8) 3.32 11.19 -36.78 2 6 1 77 350.377 3 ↓
Lo Low (pH 4.5-6) 2.80 13.73 -35.63 3 6 1 77 350.377 3 ↓

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