| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-fluorophenyl)-N1-methyl-N1-(1-methyl-4-piperidyl)butane-1,2-diamine (1S,2R)-1-(4-fluorophenyl)-N1-me…
| 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) | 2.25 | 5.77 | -121.4 | 4 | 3 | 2 | 35 | 295.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.13 | -102.51 | 4 | 3 | 2 | 35 | 295.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 5.49 | -37.4 | 3 | 3 | 1 | 34 | 294.438 | 5 | ↓ |
