UCSF

ZINC61408655

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

Popular Name: N,2,5-trimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazol-3-amine N,2,5-trimethyl-4-([1,2,4]triazo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.86 7.73 -36.62 2 6 1 61 289.388 4 ↓
Mid Mid (pH 6-8) 1.86 7.6 -15.8 1 6 0 60 288.38 4 ↓

Activity (Go SEA)

Rings

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

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