| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 20 | Yes |
Popular Name: 1-[(2S)-2-amino-2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide 1-[(2S)-2-amino-2-(3,4-dimethylp…
| 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) | -0.21 | 2.46 | -53.06 | 5 | 4 | 1 | 74 | 276.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | 2.4 | -8.29 | 4 | 4 | 0 | 72 | 275.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 4.3 | -47.24 | 5 | 4 | 1 | 74 | 276.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 4.62 | -144.9 | 6 | 4 | 2 | 75 | 277.412 | 4 | ↓ |
