UCSF

ZINC13127655

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 No

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

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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) 3.37 12.75 -22.64 1 7 0 81 395.85 4 ↓
Hi High (pH 8-9.5) 3.38 13.26 -17.81 2 7 0 84 395.85 4 ↓
Mid Mid (pH 6-8) 3.37 13.09 -45.37 2 7 1 83 396.858 4 ↓
Mid Mid (pH 6-8) 3.90 12.43 -100.02 4 7 2 91 397.866 4 ↓
Mid Mid (pH 6-8) 3.89 11.23 -40.83 2 7 1 87 396.858 4 ↓
Lo Low (pH 4.5-6) 3.38 13.46 -37.06 3 7 1 86 396.858 4 ↓

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