| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: N,N'-dimethyl-N'-[(2-phenyltriazol-4-yl)methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[(2-phenyltriaz…
| 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) | 0.96 | 3.9 | -44.77 | 2 | 5 | 1 | 51 | 246.338 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 2.45 | -7.69 | 1 | 5 | 0 | 46 | 245.33 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 6.22 | -117.78 | 3 | 5 | 2 | 52 | 247.346 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
