UCSF

ZINC59817055

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(1R)-1-benzyloxyethyl]-5-chloro-7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile 2-[(1R)-1-benzyloxyethyl]-5-chlo…

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) 5.39 13.08 -11.14 0 5 0 63 402.885 5 ↓

Activity (Go SEA)

Rings

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

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