| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: (2R)-2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-piperidyl)ethanamine (2R)-2-(9-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) | 2.22 | 6.7 | -130.14 | 4 | 4 | 2 | 51 | 312.841 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 6.35 | -38.13 | 3 | 4 | 1 | 49 | 311.833 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 4.85 | -51.91 | 3 | 4 | 1 | 49 | 311.833 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
