| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | Yes |
Popular Name: N-[(2-phenyltriazol-4-yl)methyl]-2-(1-piperidyl)ethanamine N-[(2-phenyltriazol-4-yl)methyl]…
| 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) | 1.86 | 8.2 | -121.98 | 3 | 5 | 2 | 52 | 287.411 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.64 | -7.76 | 1 | 5 | 0 | 46 | 285.395 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 6.85 | -39.39 | 2 | 5 | 1 | 47 | 286.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.99 | -44.84 | 2 | 5 | 1 | 51 | 286.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
