UCSF

ZINC65314415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 27 Yes

Popular Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(2,3-dihydro-1,4-benzodioxin-…

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) 1.29 7.3 -19.69 2 9 0 110 367.365 4 ↓
Hi High (pH 8-9.5) 1.30 6.86 -66.34 1 9 -1 113 366.357 5 ↓

Activity (Go SEA)

Rings

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

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