| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 21 | Yes |
Popular Name: (1S)-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-phenyl-ethanamine (1S)-2-(6-bromo-3,4-dihydro-2H-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) | 1.94 | 7.67 | -49.01 | 3 | 3 | 1 | 46 | 349.248 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 7.36 | -6.49 | 2 | 3 | 0 | 44 | 348.24 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
