| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | Yes |
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) | -1.25 | -3.24 | -12.78 | 5 | 9 | 0 | 150 | 291.267 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | -2.96 | -39.96 | 6 | 9 | 1 | 152 | 292.275 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | -7.35 | -36.83 | 6 | 9 | 1 | 152 | 292.275 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 50 | 0.49 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 4 | 0.56 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 8000 | 0.34 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 30 | 0.50 | Functional ≤ 10μM |
| Z80193-3-O | L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other | Other | 4 | 0.56 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 30 | 0.50 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 400 | 0.43 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 100 | 0.47 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 100 | 0.47 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 100 | 0.47 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 4 | 0.56 | ADME/T ≤ 10μM |
