| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (3S)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S)-N-ethyl-N-[(4-methyl-1,2,5-…
| 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) | 0.86 | 2.06 | -51.17 | 2 | 5 | 1 | 59 | 225.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 0.71 | -7.5 | 1 | 5 | 0 | 54 | 224.308 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 2.7 | -44.51 | 2 | 5 | 1 | 55 | 225.316 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 4.02 | -129.95 | 3 | 5 | 2 | 60 | 226.324 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
