| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 24 | Yes |
Popular Name: 3-[[[1-[(4-fluorophenyl)methyl]-4-piperidyl]amino]methyl]benzonitrile 3-[[[1-[(4-fluorophenyl)methyl]-…
| 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) | 3.21 | 10.32 | -47.32 | 2 | 3 | 1 | 40 | 324.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 11.51 | -131.61 | 3 | 3 | 2 | 45 | 325.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 9.26 | -53.19 | 2 | 3 | 1 | 44 | 324.423 | 5 | ↓ |
