UCSF

ZINC37919742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 18 Yes

Popular Name: 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2-methylimidazo[1,2-a]pyridin…

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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) 0.28 6.32 -49.45 3 6 1 75 243.294 4 ↓
Hi High (pH 8-9.5) 0.28 4.95 -13.98 2 6 0 71 242.286 4 ↓
Mid Mid (pH 6-8) 0.28 5.39 -31.53 3 6 1 72 243.294 4 ↓
Mid Mid (pH 6-8) 0.28 6.75 -108.44 4 6 2 77 244.302 4 ↓

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Rings

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

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