UCSF

ZINC65497020

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: [2,6-dimethyl-4-[[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]methyl]phenyl] [2,6-dimethyl-4-[[2-(2-methylimi…

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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) 2.32 8.89 -16.62 1 6 0 69 358.467 7 ↓
Mid Mid (pH 6-8) 2.32 10.25 -54.69 2 6 1 73 359.475 7 ↓
Lo Low (pH 4.5-6) 2.32 10.69 -110.47 3 6 2 74 360.483 7 ↓

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

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