In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 25 | Yes |
Popular Name: N-[1-[(1-allyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-4-piperidyl]morpholine-4-carboxamide N-[1-[(1-allyl-3,6-dihydro-2H-py…
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) | 2.07 | 6.15 | -43.97 | 2 | 6 | 1 | 49 | 349.499 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 8.44 | -110.12 | 3 | 6 | 2 | 50 | 350.507 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.