| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | No |
Popular Name: 4-[(1S)-2-(diethylamino)-1-methyl-ethyl]-5-(2-thienyl)-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) | 3.22 | 9.77 | -46.64 | 1 | 4 | 0 | 35 | 296.465 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.55 | -44.84 | 0 | 4 | -1 | 34 | 295.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 9.65 | -33.44 | 2 | 4 | 1 | 38 | 297.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
