| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 16 | Yes |
Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-(2-methoxyethyl)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) | 0.24 | 2.92 | -96.1 | 4 | 5 | 2 | 67 | 227.308 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 0.67 | -6.44 | 2 | 5 | 0 | 65 | 225.292 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 1.07 | -47.96 | 3 | 5 | 1 | 66 | 226.3 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
