UCSF

ZINC59817027

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 29 Yes

Popular Name: 5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2-(2-hydroxyethyl)-7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a 5-[(2R)-2-(dimethylamino)pyrroli…

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) 2.86 9.86 -10.89 1 7 0 81 390.491 5 ↓
Mid Mid (pH 6-8) 2.86 9.71 -44.77 2 7 1 82 391.499 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.