UCSF

ZINC59816139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 25 No

Popular Name: (2R)-2-tert-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]py (2R)-2-tert-butyl-5-[(2R)-2-(dim…

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) 3.26 8.5 -24.07 2 6 1 61 343.499 3 ↓
Hi High (pH 8-9.5) 3.26 7.56 -12.04 1 6 0 60 342.491 3 ↓

Activity (Go SEA)

Rings

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

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