UCSF

ZINC62915436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 20 Yes

Popular Name: 8-chloro-3-[(3S)-3-methylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3S)-3-methylpyrroli…

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) 2.84 7.15 -48.82 2 4 1 47 305.711 2 ↓

Activity (Go SEA)

Rings

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

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