UCSF

ZINC42136929

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Popular Name: 2-[[(1R)-1-(4-pyridyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1R)-1-(4-pyridyl)ethyl]amin…

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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) 1.76 6.81 -60.16 1 6 -1 82 281.295 4 ↓
Mid Mid (pH 6-8) 1.76 7.25 -51.77 2 6 0 84 282.303 4 ↓
Lo Low (pH 4.5-6) 1.76 7.71 -79.17 3 6 1 85 283.311 4 ↓
Lo Low (pH 4.5-6) 1.76 7.26 -69.67 2 6 0 84 282.303 4 ↓

Activity (Go SEA)

Rings

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

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