UCSF

ZINC69498592

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 Yes

Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methylthiazol-4-yl)ethanamine (1S)-1-(1-ethylimidazol-2-yl)-N-…

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) 0.91 4.97 -29.23 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 4.5 -6.91 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 5.82 -97.83 3 4 2 49 252.387 5 ↓
Mid Mid (pH 6-8) 0.91 5.28 -31.7 2 4 1 47 251.379 5 ↓

Activity (Go SEA)

Rings

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

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