| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | Yes |
| 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) | 2.61 | 3.38 | -9.5 | 2 | 4 | 0 | 57 | 259.696 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 4.32 | -30.91 | 3 | 4 | 1 | 59 | 260.704 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAT-1-V | Human Immunodeficiency Virus Type 1 Tat Protein (cluster #1 Of 1), Viral | Viruses | 4000 | 0.42 | Binding ≤ 10μM |
| TAT-2-V | Human Immunodeficiency Virus Type 1 Tat Protein (cluster #2 Of 2), Viral | Viruses | 4000 | 0.42 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 600 | 0.48 | Functional ≤ 10μM |
| Z80526-1-O | SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 4000 | 0.42 | Functional ≤ 10μM |
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 600 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAT_HV112 | P04326 | Human Immunodeficiency Virus Type 1 Tat Protein, Hv112 | 4000 | 0.42 | Binding ≤ 10μM |
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 600 | 0.48 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 600 | 0.48 | Functional ≤ 10μM |
| TAT_HV112 | P04326 | Human Immunodeficiency Virus Type 1 Tat Protein, Hv112 | 4000 | 0.42 | Functional ≤ 10μM |
| Z80526 | Z80526 | SW480 (Colon Adenocarcinoma Cells) | 4000 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.