UCSF

ZINC64542947

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 20 Yes

Popular Name: 7-methyl-N-(3-pyridylmethyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide 7-methyl-N-(3-pyridylmethyl)-5,6…

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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) 1.90 5.62 -10.87 1 4 0 45 287.388 3 ↓
Lo Low (pH 4.5-6) 1.90 6.09 -41.74 2 4 1 46 288.396 3 ↓

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

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