| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 25 | No |
Popular Name: 2-[4-(4-hydroxy-1-piperidyl)anilino]-5-nitro-benzonitrile 2-[4-(4-hydroxy-1-piperidyl)anil…
| 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) | 2.70 | 6.93 | -9.79 | 2 | 7 | 0 | 105 | 338.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 7.57 | -48.19 | 3 | 7 | 1 | 106 | 339.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
