UCSF

ZINC57977063

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 19 Yes

Popular Name: (1S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1-(2-thienyl)ethanamine (1S)-N-(imidazo[1,2-a]pyridin-2-…

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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) 3.20 10.61 -95.06 2 3 2 23 273.405 4 ↓
Hi High (pH 8-9.5) 3.20 8.18 -9.54 0 3 0 21 271.389 4 ↓
Mid Mid (pH 6-8) 3.20 10.49 -33.95 1 3 1 22 272.397 4 ↓

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

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