UCSF

ZINC69498593

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 Yes

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

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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) 1.78 7.12 -29.17 2 4 1 44 279.433 7 ↓
Hi High (pH 8-9.5) 1.78 6.72 -9.41 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 8.21 -93.43 3 4 2 49 280.441 7 ↓
Mid Mid (pH 6-8) 1.78 7.69 -27.5 2 4 1 47 279.433 7 ↓

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

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