| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 17 | Yes |
Popular Name: (2S)-2-(4-methylsulfanylphenyl)-2-(1-piperidyl)ethanamine (2S)-2-(4-methylsulfanylphenyl)-…
| 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) | 2.07 | 7.22 | -121.67 | 4 | 2 | 2 | 32 | 252.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 7.49 | -30.65 | 3 | 2 | 1 | 30 | 251.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.34 | -45.88 | 3 | 2 | 1 | 31 | 251.419 | 4 | ↓ |
