UCSF

ZINC61326043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 17 Yes

Popular Name: (1R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-2-methyl-propan-1-amine (1R)-1-(4,5-dihydrothieno[3,2-e]…

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) 1.17 5.9 -41.48 3 2 1 41 265.427 2 ↓
Mid Mid (pH 6-8) 1.17 5.57 -6.83 2 2 0 39 264.419 2 ↓

Activity (Go SEA)

Rings

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

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