| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 30 | 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) | 2.40 | 3.48 | -15.12 | 2 | 8 | 0 | 111 | 408.41 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 4.11 | -42.82 | 1 | 8 | -1 | 114 | 407.402 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0847397A1; WO1997046563A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80623-1-O | Panel (56 Tumour Cell Lines) (cluster #1 Of 1), Other | Other | 200 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80623 | Z80623 | Panel (56 Tumour Cell Lines) | 200 | 0.31 | Functional ≤ 10μM |
