| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-methyl-1H-imidazol-4-yl)methanamine N-[[(3R)-2,3-dihydro-1,4-benzodi…
None
| 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) | 0.96 | 4 | -33.56 | 3 | 5 | 1 | 60 | 260.317 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 3.58 | -12.72 | 2 | 5 | 0 | 59 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 5 | -44.27 | 3 | 5 | 1 | 64 | 260.317 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 5.44 | -109.52 | 4 | 5 | 2 | 65 | 261.325 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
