| 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-piperazin-1-yl-acetonitrile (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) | 1.59 | 4.58 | -53.04 | 2 | 5 | 1 | 62 | 308.789 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 3.24 | -8.59 | 1 | 5 | 0 | 58 | 307.781 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
