In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 27 | No |
None
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) | 1.89 | 2.25 | -10.14 | 3 | 7 | 0 | 113 | 376.405 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 3.24 | -50.68 | 2 | 7 | -1 | 116 | 375.397 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80548-3-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 5), Other | Other | 59 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 59 | 0.37 | Functional ≤ 10μM |