| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 15 | Yes |
Popular Name: 2-[2-[2-aminoethyl(methyl)amino]acetyl]-5-methyl-isoxazol-3-one 2-[2-[2-aminoethyl(methyl)amino]…
| 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) | -1.13 | 0.57 | -58.87 | 3 | 6 | 1 | 83 | 214.245 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.13 | 0.18 | -16.2 | 2 | 6 | 0 | 81 | 213.237 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
