In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 24 | Yes |
Popular Name: 2-[(4-isopropyl-1-piperidyl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-isopropyl-1-piperidyl)sulf…
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) | 3.12 | 6.56 | -94.78 | 2 | 6 | 0 | 94 | 372.512 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 5.2 | -68.52 | 1 | 6 | -1 | 90 | 371.504 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.