| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: 2-[(2S)-1-(1-adamantylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1-adamantylmethyl)-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) | 4.23 | 10.55 | -107.32 | 3 | 2 | 2 | 21 | 292.511 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 9.12 | -33.46 | 2 | 2 | 1 | 16 | 291.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 8.82 | -40.12 | 2 | 2 | 1 | 20 | 291.503 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
