| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 20 | Yes |
Popular Name: (2S)-2-[4-(dimethylaminomethyl)-1-piperidyl]-2-(4-fluorophenyl)ethanamine (2S)-2-[4-(dimethylaminomethyl)-…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.70 | 8.51 | -94.18 | 4 | 3 | 2 | 35 | 281.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 6.17 | -96.66 | 4 | 3 | 2 | 35 | 281.419 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 8.22 | -203.91 | 5 | 3 | 3 | 37 | 282.427 | 5 | ↓ |
