In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 19 | 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) | -0.93 | -3.53 | -13.68 | 5 | 8 | 0 | 127 | 266.257 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.93 | -3.27 | -34.72 | 6 | 8 | 1 | 128 | 267.265 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.93 | -6.99 | -31.97 | 6 | 8 | 1 | 128 | 267.265 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 500 | 0.46 | Functional ≤ 10μM |
Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 60 | 0.53 | Functional ≤ 10μM |
Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 68 | 0.53 | Functional ≤ 10μM |
Z80945-1-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other | Other | 2 | 0.64 | Functional ≤ 10μM |
Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 400 | 0.47 | Functional ≤ 10μM |
Z80193-3-O | L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other | Other | 40 | 0.55 | ADME/T ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 2 | 0.64 | Functional ≤ 10μM |
Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 400 | 0.47 | Functional ≤ 10μM |
Z50587 | Z50587 | Homo Sapiens | 60 | 0.53 | Functional ≤ 10μM |
Z50530 | Z50530 | Human Herpesvirus 5 | 500 | 0.46 | Functional ≤ 10μM |
Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 43 | 0.54 | Functional ≤ 10μM |
Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 40 | 0.55 | ADME/T ≤ 10μM |