| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (S)-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyridyl)methanamine (S)-(7-bromo-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) | 2.13 | 4.79 | -53.41 | 3 | 4 | 1 | 59 | 336.209 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 4.48 | -7.17 | 2 | 4 | 0 | 57 | 335.201 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 4.93 | -38.35 | 3 | 4 | 1 | 59 | 336.209 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
