UCSF

ZINC69498582

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Substance Information

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

Popular Name: (1R)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanamine (1R)-2-(2-methylthiazol-4-yl)-1-…

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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) -0.84 5.56 -27.7 3 4 1 58 251.379 5 ↓
Hi High (pH 8-9.5) -0.84 4.76 -7.66 2 4 0 57 250.371 5 ↓
Mid Mid (pH 6-8) -0.84 5.34 -32.47 3 4 1 58 251.379 5 ↓

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

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