UCSF

ZINC54794309

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 Yes

Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine 1-(4-methyl-1H-imidazol-5-yl)-N-…

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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 6.69 -60.46 3 6 1 75 243.294 4 ↓
Mid Mid (pH 6-8) 0.28 5.36 -16.07 2 6 0 71 242.286 4 ↓
Lo Low (pH 4.5-6) 0.28 7.15 -119.6 4 6 2 77 244.302 4 ↓

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

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