| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 16 | No |
Popular Name: 2-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]thiazole-4-carboxamide 2-[(1R,2R,4R,5R)-4-(hydroxymethy…
| 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) | -1.36 | -5.65 | -14.3 | 3 | 6 | 0 | 98 | 242.256 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 4), Other | Other | 2080 | 0.50 | ADME/T ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 3), Other | Other | 190 | 0.59 | ADME/T ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 2), Other | Other | 960 | 0.53 | ADME/T ≤ 10μM |
| Z80414-2-O | Raji (B-lymphoblastic Cells) (cluster #2 Of 2), Other | Other | 540 | 0.55 | ADME/T ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 2), Other | Other | 4840 | 0.47 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 2080 | 0.50 | ADME/T ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 4840 | 0.47 | ADME/T ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 190 | 0.59 | ADME/T ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 960 | 0.53 | ADME/T ≤ 10μM |
| Z80414 | Z80414 | Raji (B-lymphoblastic Cells) | 540 | 0.55 | ADME/T ≤ 10μM |
