UCSF

ZINC22742977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 Yes

Popular Name: (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2R)-N-(5-butyl-1,3,4-thiadiazol…

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) 2.84 6.34 -26.55 2 8 0 113 435.575 10 ↓
Hi High (pH 8-9.5) 3.02 5.28 -48.73 1 8 -1 120 434.567 10 ↓

Activity (Go SEA)

Rings

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

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