| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-thienyl)ethanamine N-[(6-chloro-3,4-dihydro-2H-1,5-…
| 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) | 3.78 | 7.27 | -6.4 | 1 | 3 | 0 | 30 | 323.845 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 8.62 | -52.26 | 2 | 3 | 1 | 35 | 324.853 | 5 | ↓ |
![3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl-[2-(2-thienyl)ethyl]amine](http://zinc12.docking.org/img/rings/61834.gif)
