| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 17 | No |
Popular Name: 4-{[(1E)-(2-hydroxyphenyl)methylene]amino}benzonitrile 4-{[(1E)-(2-hydroxyphenyl)methyl…
Find On: PubMed — Wikipedia — Google
CAS Number: [33721-67-4]
| 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) | 3.17 | 5.81 | -8.3 | 1 | 3 | 0 | 56 | 222.247 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 6.58 | -44.57 | 0 | 3 | -1 | 59 | 221.239 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 5.37 | -36.84 | 0 | 3 | -1 | 59 | 221.239 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 5.03 | -41.49 | 2 | 3 | 1 | 58 | 223.255 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 6.76 | -43.44 | 2 | 3 | 1 | 58 | 223.255 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
