UCSF

ZINC37205126

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

Popular Name: 3-(5-fluoro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-fluoro-1,3-benzothiazol-2-y…

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) 3.88 8.2 -7.94 1 2 0 37 304.415 1 ↓
Mid Mid (pH 6-8) 4.80 7.66 -6.38 2 2 0 39 304.415 1 ↓

Activity (Go SEA)

Rings

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

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