UCSF

ZINC69498596

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 Yes

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

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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) 1.28 5.62 -26.12 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.28 5.14 -7.93 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.28 7.23 -92.97 3 4 2 49 266.414 6 ↓
Mid Mid (pH 6-8) 1.28 6.11 -30.17 2 4 1 47 265.406 6 ↓

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

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