| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2011 | 25 | No |
Popular Name: N,N-diethyl-4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]aniline N,N-diethyl-4-[(E)-(6-nitro-1,3-…
| 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) | 4.10 | 9.3 | -52.27 | 1 | 7 | 0 | 81 | 342.375 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 9.18 | -6.71 | 0 | 7 | 0 | 80 | 341.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
