In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 31 | No |
Popular Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]ethanamine 2-[(3R,4R)-1-heptyl-4-[3-(6-meth…
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) | 6.11 | 12.77 | -114.51 | 4 | 4 | 2 | 54 | 427.677 | 13 | ↓ |
Lo Low (pH 4.5-6) | 6.11 | 13.2 | -162.88 | 5 | 4 | 3 | 55 | 428.685 | 13 | ↓ |