In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2006 | 25 | Yes |
Popular Name: 1-benzyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine 1-benzyl-N-[(2-prop-2-ynoxypheny…
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) | 3.48 | 11.9 | -107.09 | 3 | 3 | 2 | 30 | 336.479 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 10.69 | -37.47 | 2 | 3 | 1 | 26 | 335.471 | 7 | ↓ |