| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: 4-[(1S)-2-(diethylamino)-1-methyl-ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-2-(diethylamino)-1-methy…
| 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) | 2.29 | 9.53 | -47.2 | 1 | 5 | 0 | 48 | 291.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 7.43 | -48.81 | 0 | 5 | -1 | 47 | 290.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 10.19 | -33.39 | 2 | 5 | 1 | 51 | 292.432 | 6 | ↓ |
