| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: (2R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3S)-3-methyl-1-piperidyl]ethanamine (2R)-2-(5-chloro-2,3-dihydro-1,4…
| 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) | 2.19 | 6.51 | -126.22 | 4 | 4 | 2 | 51 | 312.841 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 6.76 | -33.53 | 3 | 4 | 1 | 49 | 311.833 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.61 | -48.72 | 3 | 4 | 1 | 49 | 311.833 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
