UCSF

ZINC13127596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 Yes

Popular Name: (7R)-7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-7-(4-ethoxyphenyl)-5-phenyl…

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) 3.53 12.4 -13.65 0 5 0 52 318.38 4 ↓
Mid Mid (pH 6-8) 3.53 13.32 -46.8 2 5 1 56 319.388 4 ↓
Lo Low (pH 4.5-6) 3.53 12.72 -35.92 1 5 1 54 319.388 4 ↓

Activity (Go SEA)

Rings

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