| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 24 | Yes |
Popular Name: 1,3-benzodioxol-5-yl-[(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(3S,5S)-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) | 1.38 | 5.86 | -46.5 | 1 | 6 | 1 | 46 | 334.44 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 3.39 | -10.32 | 0 | 6 | 0 | 45 | 333.432 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 7.92 | -122.18 | 2 | 6 | 2 | 48 | 335.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
