| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 16 | Yes |
Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…
| 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) | 1.38 | 5.19 | -97.8 | 4 | 4 | 2 | 58 | 225.336 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 4.41 | -37.09 | 3 | 4 | 1 | 56 | 224.328 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
