| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2006 | 19 | No |
Popular Name: 4-(benzo[1,3]dioxol-5-ylmethyleneamino)-5-ethyl-2H-1,2,4-triazole-3-thione 4-(benzo[1,3]dioxol-5-ylmethylen…
| 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) | 1.43 | 6.6 | -18.1 | 1 | 6 | 0 | 64 | 276.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.06 | -48.34 | 0 | 6 | -1 | 62 | 275.313 | 3 | ↓ |
