| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 17 | Yes |
Popular Name: N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]aniline N-methyl-N-[[3-(methylaminomethy…
| 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) | 1.96 | 5.78 | -43.56 | 2 | 4 | 1 | 46 | 232.307 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.32 | -6.28 | 1 | 4 | 0 | 41 | 231.299 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
