| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (1R)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-thienyl)ethanamine (1R)-N-[(6-chloro-3,4-dihydro-2H…
| 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) | 3.94 | 8.4 | -46.88 | 2 | 3 | 1 | 35 | 324.853 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 7.19 | -7.23 | 1 | 3 | 0 | 30 | 323.845 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
