UCSF

ZINC69848264

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: 3-chloro-4-methyl-2-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]quinoline 3-chloro-4-methyl-2-[(1-methyl-6…

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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) 2.62 8.78 -32.75 1 4 1 35 327.839 2 ↓
Hi High (pH 8-9.5) 2.62 8.31 -13.29 0 4 0 34 326.831 2 ↓
Lo Low (pH 4.5-6) 2.62 9.51 -75.04 2 4 2 36 328.847 2 ↓

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

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