UCSF

ZINC49409581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 22 Yes

Popular Name: 7-hydroxy-5-oxo-N-[(1S)-1-(4-pyridyl)ethyl]-4H-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-5-oxo-N-[(1S)-1-(4-pyr…

Find On: PubMed — Wikipedia — Google

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) 0.72 3.64 -53.64 2 6 -1 98 314.346 3 ↓
Lo Low (pH 4.5-6) 0.44 1.77 -43.44 3 6 1 93 316.362 3 ↓
Lo Low (pH 4.5-6) 0.72 4.1 -65.42 3 6 0 99 315.354 3 ↓

Activity (Go SEA)

Rings

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

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