| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-methyl-1H-imidazol-4-yl)methanamine N-(2,3-dihydro-1,4-benzodioxin-6…
| 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) | 0.72 | 4.84 | -44.9 | 3 | 5 | 1 | 64 | 260.317 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 3.47 | -12.12 | 2 | 5 | 0 | 59 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 3.92 | -34.02 | 3 | 5 | 1 | 60 | 260.317 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 5.28 | -111.31 | 4 | 5 | 2 | 65 | 261.325 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
