| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 16 | Yes |
Popular Name: (1S)-1-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine (1S)-1-(9-bromo-3,4-dihydro-2H-1…
| 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) | -1.06 | 1.1 | -47.33 | 5 | 4 | 1 | 72 | 288.165 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 1.49 | -146.02 | 6 | 4 | 2 | 74 | 289.173 | 2 | ↓ |
