UCSF

ZINC19447564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: N-(6-isobutyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carbo N-(6-isobutyl-4,5-dihydropyrazol…

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) 3.26 8.63 -26.58 1 7 0 78 410.499 4 ↓
Hi High (pH 8-9.5) 3.33 7.72 -57.35 0 7 -1 85 409.491 4 ↓

Activity (Go SEA)

Rings

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

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