| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | Yes |
Popular Name: N-methyl-1-[5-[[(3R)-3-propoxy-1-piperidyl]methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[[(3R)-3-propoxy-1…
| 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) | 1.51 | 6.13 | -98.2 | 3 | 5 | 2 | 56 | 269.389 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 4.67 | -42.3 | 2 | 5 | 1 | 52 | 268.381 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
