| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (1S)-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]ethanamine (1S)-1-[1-[(4-methyl-1,2,5-oxadi…
| 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) | 0.64 | 3.51 | -112.8 | 4 | 5 | 2 | 71 | 226.324 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.23 | -48.23 | 3 | 5 | 1 | 70 | 225.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
