| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 27 | No |
Popular Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1,1,3,3-tetramethylbutyl)piperazine-1-carboximidothioic 4-(1,3-benzodioxol-5-ylmethyl)-N…
| 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) | 4.54 | 7.96 | -11.93 | 1 | 5 | 0 | 39 | 391.581 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.17 | -57.98 | 2 | 5 | 1 | 40 | 392.589 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 11.17 | -52.29 | 2 | 5 | 1 | 40 | 392.589 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
