UCSF

ZINC66246897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 22 Yes

Popular Name: N-(1,3-benzothiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide N-(1,3-benzothiazol-2-yl)-1H-pyr…

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) 2.51 4.39 -52.43 1 6 -1 90 329.386 3 ↓
Mid Mid (pH 6-8) 3.44 4.69 -18.32 2 6 0 91 330.394 2 ↓

Activity (Go SEA)

Rings

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

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