UCSF

ZINC69985650

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 13 No

Popular Name: 2-(2-methylsulfanylethyl)-3H-imidazo[4,5-c]pyridine 2-(2-methylsulfanylethyl)-3H-imi…

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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) 1.14 3.64 -34.91 0 3 -1 40 192.267 3 ↓
Mid Mid (pH 6-8) 1.14 4.14 -7.73 1 3 0 42 193.275 3 ↓
Lo Low (pH 4.5-6) 1.14 5.01 -98.17 3 3 2 44 195.291 3 ↓
Lo Low (pH 4.5-6) 1.14 4.6 -34.87 2 3 1 43 194.283 3 ↓

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

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