| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 21 | Yes |
Popular Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-1-piperidyl)ethanamine (2S)-2-(3,4-dihydro-2H-1,5-benzo…
| 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) | 1.66 | 6.74 | -126.04 | 4 | 4 | 2 | 51 | 292.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 7.04 | -35.1 | 3 | 4 | 1 | 49 | 291.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 4.86 | -46.3 | 3 | 4 | 1 | 49 | 291.415 | 3 | ↓ |
