| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 27 | Yes |
Popular Name: amino-(6-methoxy-1,3-benzodioxol-5-yl)-methyl-BLAHcarbonitrile amino-(6-methoxy-1,3-benzodioxol…
| 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) | 2.63 | 3.28 | -9.03 | 2 | 7 | 0 | 94 | 364.405 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.87 | -44.7 | 3 | 7 | 1 | 95 | 365.413 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
