| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2009 | 20 | No |
Popular Name: 3-(4-chlorophenyl)-4-(2-diethylaminoethyl)-1H-1,2,4-triazole-5-thione 3-(4-chlorophenyl)-4-(2-diethyla…
| 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) | 3.75 | 10.1 | -49.95 | 1 | 4 | 0 | 35 | 310.854 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.79 | -43.6 | 0 | 4 | -1 | 34 | 309.846 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 10.26 | -44.21 | 2 | 4 | 1 | 38 | 311.862 | 6 | ↓ |
