UCSF

ZINC49541609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 Yes

Popular Name: (1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)butan-1-amine (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) 4.24 10.49 -44.17 2 3 1 34 300.451 6 ↓
Hi High (pH 8-9.5) 4.24 9.43 -8.91 1 3 0 29 299.443 6 ↓
Lo Low (pH 4.5-6) 4.24 10.93 -94.28 3 3 2 35 301.459 6 ↓

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

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