UCSF

ZINC69498591

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methylthiazol-4-yl)ethanamine (1R)-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 5.47 -28.96 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 5.04 -9.94 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 6.73 -93.37 3 4 2 49 252.387 5 ↓
Mid Mid (pH 6-8) 0.91 6.1 -28.94 2 4 1 47 251.379 5 ↓

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

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