UCSF

ZINC69773653

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

Popular Name: 4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(2-thienyl)thiazole 4-[(1-methyl-6,7-dihydro-4H-imid…

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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) 1.74 8.08 -31.84 1 4 1 35 317.463 3 ↓
Hi High (pH 8-9.5) 1.74 7.61 -15.51 0 4 0 34 316.455 3 ↓
Lo Low (pH 4.5-6) 1.74 10.33 -95.41 2 4 2 36 318.471 3 ↓

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

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