| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: (S)-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-bromo-3-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) | 3.13 | 5.37 | -53.67 | 3 | 4 | 1 | 59 | 415.105 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 5.05 | -6.33 | 2 | 4 | 0 | 57 | 414.097 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
