| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine 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) | 2.68 | 8.27 | -95.85 | 3 | 4 | 2 | 47 | 307.36 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.24 | -40.65 | 2 | 4 | 1 | 46 | 306.352 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
