| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2010 | 24 | No |
Popular Name: 2-[1-(2-hydroxy-5-nitro-anilino)ethylidene]indane-1,3-dione 2-[1-(2-hydroxy-5-nitro-anilino)…
| 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) | 3.40 | 6.05 | -42.53 | 1 | 7 | -1 | 119 | 323.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.82 | -110.86 | 0 | 7 | -2 | 121 | 322.276 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 6.47 | -13.23 | 2 | 7 | 0 | 112 | 324.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
