| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 29 | No |
Popular Name: 1-(benzo[1,3]dioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-(1-methyl-4-piperidyl)-thiourea 1-(benzo[1,3]dioxol-5-ylmethyl)-…
| 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) | 4.13 | 13.51 | -59.3 | 2 | 5 | 1 | 38 | 412.579 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 11.11 | -11.4 | 1 | 5 | 0 | 37 | 411.571 | 6 | ↓ |
