| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 21 | No |
Popular Name: 4-[(2-hydroxy-1-naphthyl)methyleneamino]benzonitrile 4-[(2-hydroxy-1-naphthyl)methyle…
| 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) | 4.33 | 7.14 | -8.27 | 1 | 3 | 0 | 56 | 272.307 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 7.9 | -36.31 | 0 | 3 | -1 | 59 | 271.299 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 8.74 | -44.55 | 0 | 3 | -1 | 59 | 271.299 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 8.91 | -41.22 | 2 | 3 | 1 | 58 | 273.315 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 7.57 | -44.7 | 2 | 3 | 1 | 58 | 273.315 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
