| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (2S,3S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-azepan-3-amine (2S,3S)-2-(3,4-dihydro-2H-1,5-be…
| 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) | 1.47 | 3.66 | -41.45 | 3 | 4 | 1 | 49 | 277.388 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 5.61 | -33.4 | 3 | 4 | 1 | 49 | 277.388 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 5.92 | -116.33 | 4 | 4 | 2 | 51 | 278.396 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
