| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: (11S)-7-bromo-N-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine (11S)-7-bromo-N-methyl-3,4,8,9,1…
| 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) | 2.25 | 6.94 | -39.03 | 2 | 3 | 1 | 35 | 313.215 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 6.34 | -4.33 | 1 | 3 | 0 | 30 | 312.207 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,4,8,9,10,11-hexahydro-2H-benzo[g][1,5]benzodioxepine](http://zinc12.docking.org/img/rings/151523.gif)