UCSF

ZINC13127653

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Substance Information

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

Popular Name: N-[(7S)-5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acet N-[(7S)-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 12.33 -24.09 1 7 0 81 395.85 4 ↓
Mid Mid (pH 6-8) 3.37 12.65 -44.69 2 7 1 83 396.858 4 ↓
Mid Mid (pH 6-8) 3.90 12.43 -99.94 4 7 2 91 397.866 4 ↓
Mid Mid (pH 6-8) 3.89 10.77 -42.1 2 7 1 87 396.858 4 ↓

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