| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2009 | 22 | Yes |
Popular Name: (2S)-1-[2-(1-adamantyl)ethyl]-2-[(1R)-1-methylpropyl]piperazine (2S)-1-[2-(1-adamantyl)ethyl]-2-…
| 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) | 4.46 | 9.01 | -38.13 | 2 | 2 | 1 | 20 | 305.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 9.34 | -34.39 | 2 | 2 | 1 | 16 | 305.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 10.69 | -122.57 | 3 | 2 | 2 | 21 | 306.538 | 5 | ↓ |
