UCSF

ZINC13127491

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 10.88 -27.92 1 8 0 102 476.356 5 ↓
Hi High (pH 8-9.5) 3.47 10.43 -64.2 0 8 -1 101 475.348 5 ↓
Hi High (pH 8-9.5) 3.65 11.27 -44.2 1 8 -1 103 475.348 4 ↓
Mid Mid (pH 6-8) 3.65 11.75 -35.3 3 8 1 106 477.364 4 ↓
Mid Mid (pH 6-8) 3.47 10.75 -50.72 1 8 0 102 476.356 5 ↓
Lo Low (pH 4.5-6) 3.65 11.44 -13.09 2 8 0 105 476.356 4 ↓

Activity (Go SEA)

Rings

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