| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-[(isopropylamino)methyl]is…
| 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) | 2.34 | 7.39 | -96.01 | 3 | 4 | 2 | 47 | 253.39 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 6.17 | -38.72 | 2 | 4 | 1 | 42 | 252.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
