| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-1-(5-methyl-2-furyl)methanamine 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) | 1.14 | 3.78 | -45.62 | 2 | 5 | 1 | 59 | 250.322 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 2.33 | -9.68 | 1 | 5 | 0 | 54 | 249.314 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 6.13 | -100.59 | 3 | 5 | 2 | 60 | 251.33 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
