UCSF

ZINC70106432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 Yes

Popular Name: (2S)-1-cyclopropyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(2-methyli…

Find On: PubMed — Wikipedia — Google

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) 3.33 9.66 -45.49 2 3 1 34 258.389 6 ↓
Hi High (pH 8-9.5) 3.33 8.46 -7.76 1 3 0 29 257.381 6 ↓
Lo Low (pH 4.5-6) 3.33 10.1 -95.89 3 3 2 35 259.397 6 ↓

Activity (Go SEA)

Rings

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

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