| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2010 | 44 | 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) | 4.47 | 13.9 | -391.96 | 12 | 9 | 5 | 140 | 631.072 | 36 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 12.17 | -176.75 | 10 | 9 | 3 | 134 | 629.056 | 36 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 11.8 | -286.95 | 11 | 9 | 4 | 139 | 630.064 | 36 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 12.53 | -262.69 | 11 | 9 | 4 | 136 | 630.064 | 36 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-4-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other | Other | 3170 | 0.17 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 3170 | 0.17 | Functional ≤ 10μM |
