UCSF

ZINC62861659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 18 Yes

Popular Name: 5-[[(3S)-3-ethyl-3-piperidyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[[(3S)-3-ethyl-3-piperidyl]met…

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) 2.40 6.67 -38.43 2 2 1 20 265.446 3 ↓
Lo Low (pH 4.5-6) 2.40 8.32 -107.78 3 2 2 21 266.454 3 ↓

Activity (Go SEA)

Rings

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

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