UCSF

ZINC37204474

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: (1S)-2-(1H-imidazol-4-yl)-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine (1S)-2-(1H-imidazol-4-yl)-1-(5-m…

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) 0.05 4.3 -10.36 3 4 0 68 258.35 3 ↓
Mid Mid (pH 6-8) 0.05 4.64 -46.63 4 4 1 69 259.358 3 ↓
Mid Mid (pH 6-8) 0.05 4.84 -37.27 4 4 1 69 259.358 3 ↓
Mid Mid (pH 6-8) 0.05 5.21 -111.81 5 4 2 70 260.366 3 ↓

Activity (Go SEA)

Rings

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

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