| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: 4-[(1S)-2-(diethylamino)-1-methyl-ethyl]-5-phenyl-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) | 3.43 | 10.52 | -48.42 | 1 | 4 | 0 | 35 | 290.436 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 8.4 | -45.67 | 0 | 4 | -1 | 34 | 289.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 10.62 | -34.83 | 2 | 4 | 1 | 38 | 291.444 | 6 | ↓ |
