UCSF

ZINC13127490

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Substance Information

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

Popular Name: N-[(7S)-5-(4-bromophenyl)-7-(2-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]metha N-[(7S)-5-(4-bromophenyl)-7-(2-m…

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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) 3.47 9.97 -64.51 0 8 -1 101 475.348 5 ↓
Mid Mid (pH 6-8) 3.29 10.42 -114.48 0 8 -2 102 474.34 5 ↓
Lo Low (pH 4.5-6) 3.47 10.39 -21.98 1 8 0 98 476.356 5 ↓
Lo Low (pH 4.5-6) 3.47 10.78 -31.49 1 8 0 102 476.356 5 ↓

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