| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 17 | Yes |
Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)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) | 1.18 | 4.09 | -99.15 | 4 | 4 | 2 | 58 | 251.252 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 1.65 | -6.99 | 2 | 4 | 0 | 55 | 249.236 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 2.06 | -46.39 | 3 | 4 | 1 | 57 | 250.244 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
