| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 21 | Yes |
Popular Name: (2S)-2-[4-(dimethylaminomethyl)-1-piperidyl]-2-(4-methylsulfanylphenyl)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) | 1.97 | 8.82 | -98.7 | 4 | 3 | 2 | 35 | 309.523 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.12 | -94.63 | 4 | 3 | 2 | 35 | 309.523 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 9.17 | -201.73 | 5 | 3 | 3 | 37 | 310.531 | 6 | ↓ |
