| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 34 | No |
Popular Name: (E)-N-[4-[4-(cinnamylideneamino)phenyl]disulfanylphenyl]-3-phenyl-prop-2-en-1-imine (E)-N-[4-[4-(cinnamylideneamino)…
| 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) | 8.68 | 18.79 | -10.89 | 0 | 2 | 0 | 25 | 476.67 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 8.68 | 19 | -41.28 | 1 | 2 | 1 | 26 | 477.678 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 8.68 | 18.97 | -40.86 | 1 | 2 | 1 | 26 | 477.678 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 8.68 | 18.79 | -42.35 | 1 | 2 | 1 | 26 | 477.678 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 8.68 | 19.22 | -39.83 | 1 | 2 | 1 | 26 | 477.678 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 17 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 16.5 | 0.32 | Functional ≤ 10μM |
