In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 31 | Yes |
Popular Name: [1-(2-ethylthieno[3,2-c]pyridin-4-yl)-4-piperidyl]-[4-(1-piperidyl)-1-piperidyl]methanone [1-(2-ethylthieno[3,2-c]pyridin-…
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) | 4.28 | 14.46 | -82.94 | 2 | 5 | 2 | 42 | 442.673 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.28 | 14 | -49.39 | 1 | 5 | 1 | 41 | 441.665 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.