| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 14 | Yes |
Popular Name: 1-(3-pyridyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(3-pyridyl)-N-(4H-1,2,4-triazo…
| 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) | -0.78 | 2.18 | -8.92 | 2 | 5 | 0 | 66 | 189.222 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 2.2 | -10.28 | 2 | 5 | 0 | 66 | 189.222 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 3.53 | -53.08 | 3 | 5 | 1 | 71 | 190.23 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
