| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 14 | Yes |
Popular Name: 2-[[2-aminoethyl(methyl)amino]methyl]-5-hydroxy-pyran-4-one 2-[[2-aminoethyl(methyl)amino]me…
| 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) | -1.62 | -1.81 | -60.96 | 4 | 5 | 1 | 81 | 199.23 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.62 | -0.95 | -88.38 | 3 | 5 | 0 | 84 | 198.222 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.62 | 0.54 | -141.02 | 5 | 5 | 2 | 83 | 200.238 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.62 | 1.4 | -147.78 | 4 | 5 | 1 | 85 | 199.23 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
