UCSF

ZINC69498544

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Substance Information

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

Popular Name: (1S)-N-ethyl-2-(4-methylthiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanamine (1S)-N-ethyl-2-(4-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 6.61 -32.03 2 4 1 44 279.433 7 ↓
Mid Mid (pH 6-8) 1.78 6.13 -7.79 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 6.98 -31.07 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.