| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 40 | No |
| 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) | 4.77 | 10.9 | -196.13 | 9 | 8 | 3 | 122 | 571.96 | 32 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 9.55 | -105.95 | 8 | 8 | 2 | 118 | 570.952 | 32 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 10.56 | -116.42 | 8 | 8 | 2 | 121 | 570.952 | 32 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 13.04 | -291.84 | 10 | 8 | 4 | 123 | 572.968 | 32 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-4-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other | Other | 9760 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 9760 | 0.18 | Functional ≤ 10μM |
