| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 22 | No |
Popular Name: 2-[(2-hydroxy-5-nitro-anilino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione 2-[(2-hydroxy-5-nitro-anilino)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) | 2.40 | 5.36 | -41.52 | 1 | 7 | -1 | 119 | 303.294 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.11 | -110.22 | 0 | 7 | -2 | 121 | 302.286 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 5.56 | -11.55 | 2 | 7 | 0 | 112 | 304.302 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
