| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 29 | Yes |
Popular Name: (2S,4R)-4-(2-adamantylamino)-N-methyl-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamide (2S,4R)-4-(2-adamantylamino)-N-m…
| 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) | 3.41 | 8.44 | -135.34 | 4 | 5 | 2 | 53 | 404.643 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.81 | -38.82 | 3 | 5 | 1 | 49 | 403.635 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 8.75 | -102.78 | 4 | 5 | 2 | 53 | 404.643 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 6.4 | -55.97 | 3 | 5 | 1 | 52 | 403.635 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 7.31 | -36.15 | 3 | 5 | 1 | 49 | 403.635 | 6 | ↓ |
