UCSF

ZINC48939876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 Yes

Popular Name: 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiazole-5-carboxamide 4-chloro-N-([1,2,4]triazolo[4,3-…

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) 1.95 7.12 -25.87 1 6 0 72 279.712 2 ↓
Mid Mid (pH 6-8) 2.02 5.27 -58.49 0 6 -1 79 278.704 2 ↓

Activity (Go SEA)

Rings

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

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