| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: [(2R,6S)-1-(isoxazol-4-ylmethyl)-6-methyl-2-piperidyl]methanamine [(2R,6S)-1-(isoxazol-4-ylmethyl)…
| 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) | 0.18 | 1.87 | -51.98 | 3 | 4 | 1 | 57 | 210.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 3.25 | -36.87 | 3 | 4 | 1 | 56 | 210.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 3.62 | -130.51 | 4 | 4 | 2 | 58 | 211.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
