| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 23 | No |
Popular Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile (E)-3-(3,4-dihydroxy-5-nitro-phe…
None
| 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) | 1.79 | 4.18 | -13.15 | 2 | 8 | 0 | 130 | 317.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.25 | -45.28 | 1 | 8 | -1 | 133 | 316.293 | 3 | ↓ |
