UCSF

ZINC69842463

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 3-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-(m-tolyl)-1,2,4-oxadiazole 3-[(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) 1.07 6.89 -33.7 1 6 1 61 310.381 3 ↓
Hi High (pH 8-9.5) 1.07 6.43 -15.98 0 6 0 60 309.373 3 ↓
Lo Low (pH 4.5-6) 1.07 9.09 -96.53 2 6 2 62 311.389 3 ↓

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

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