| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]methanamine [1-[(4-methyl-1,2,5-oxadiazol-3-…
| 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) | 0.24 | 2.57 | -117.4 | 4 | 5 | 2 | 71 | 212.297 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 0.33 | -53.73 | 3 | 5 | 1 | 70 | 211.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
