UCSF

ZINC52537269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 14 Yes

Popular Name: methyl 3-hydroxythieno[3,2-b]pyridine-2-carboxylate methyl 3-hydroxythieno[3,2-b]pyr…

Find On: PubMed — Wikipedia — Google

CAS Number: 111042-98-9

Other Names:

MFCD17015232

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) 1.78 3.46 -57.09 0 4 -1 62 208.218 2 ↓
Lo Low (pH 4.5-6) 1.78 2.54 -11.25 1 4 0 59 209.226 2 ↓

Activity (Go SEA)

Rings

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

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