UCSF

ZINC49409546

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 21 Yes

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

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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) 0.28 2.73 -58.76 2 6 -1 98 300.319 3 ↓
Lo Low (pH 4.5-6) 0.00 0.81 -39.95 3 6 1 93 302.335 3 ↓
Lo Low (pH 4.5-6) 0.28 3.14 -55.81 3 6 0 99 301.327 3 ↓

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

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