| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cycloheptanamine N-[[3-[(isobutylamino)methyl]iso…
| 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) | 3.80 | 9.03 | -100.06 | 3 | 4 | 2 | 47 | 295.471 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
