UCSF

ZINC37220758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: (1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(o-tolyl)ethanamine (1S)-N-[(2-methylimidazo[1,2-a]p…

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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) 3.68 9.71 -26.44 2 3 1 31 280.395 4 ↓
Hi High (pH 8-9.5) 3.68 9.27 -9.19 1 3 0 29 279.387 4 ↓
Lo Low (pH 4.5-6) 3.68 10.84 -101.05 3 3 2 35 281.403 4 ↓

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

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