UCSF

ZINC69489558

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-(1-methyl-6,7-dihydro-4H-imida…

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Download: MOL2 SDF SMILES Flexibase

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) -1.91 3.11 -42.82 1 8 1 80 342.445 3 ↓
Hi High (pH 8-9.5) -1.91 2.65 -23.9 0 8 0 79 341.437 3 ↓
Lo Low (pH 4.5-6) -1.91 4.82 -56.62 1 8 1 80 342.445 3 ↓

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

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