| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: N,N-dimethyl-2-[4-[(2S)-piperidine-2-carbonyl]-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-[(2S)-piperidi…
| 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) | -0.58 | 5.88 | -94.97 | 3 | 6 | 2 | 62 | 298.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 4.68 | -44.75 | 2 | 6 | 1 | 57 | 297.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 2.88 | -14.76 | 1 | 6 | 0 | 56 | 296.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 4.11 | -43.81 | 2 | 6 | 1 | 60 | 297.423 | 3 | ↓ |
