UCSF

ZINC69490267

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 Yes

Popular Name: 2-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]indolizine-1-carbonitrile 2-[(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) 0.57 9.94 -38.79 1 5 1 51 292.366 2 ↓
Hi High (pH 8-9.5) 0.57 9.48 -15.62 0 5 0 49 291.358 2 ↓
Lo Low (pH 4.5-6) 0.57 12.16 -103.36 2 5 2 52 293.374 2 ↓

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

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