| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: 4-[(1S)-2-(diethylamino)-1-methyl-ethyl]-5-(3-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) | 2.36 | 8.48 | -32.52 | 1 | 5 | 0 | 48 | 291.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.91 | -45.23 | 0 | 5 | -1 | 47 | 290.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 8.36 | -37.74 | 2 | 5 | 1 | 51 | 292.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
