| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 20 | Yes |
Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…
| 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) | 2.94 | 8.49 | -91.68 | 3 | 4 | 2 | 47 | 281.444 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 7.26 | -38.62 | 2 | 4 | 1 | 42 | 280.436 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
