| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: 2-[(3S)-1-(isoxazol-4-ylmethyl)-3-piperidyl]ethanamine 2-[(3S)-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) | 0.00 | 3.94 | -105.75 | 4 | 4 | 2 | 58 | 211.309 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 1.7 | -48.23 | 3 | 4 | 1 | 57 | 210.301 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
