| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: N-[6-(diethylamino)-3-pyridyl]-1H-triazole-4-carboxamide N-[6-(diethylamino)-3-pyridyl]-1…
| 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) | 1.04 | 3.23 | -8.26 | 2 | 7 | 0 | 87 | 260.301 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 3.21 | -36.81 | 1 | 7 | -1 | 85 | 259.293 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 3.61 | -31.22 | 3 | 7 | 1 | 88 | 261.309 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
