| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 17 | Yes |
Popular Name: 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(4,5-dimethyl-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) | -0.51 | 5.55 | -104.7 | 4 | 5 | 2 | 63 | 239.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | 3.34 | -53.76 | 3 | 5 | 1 | 62 | 238.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
