In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2005 | 22 | Yes |
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) | -2.14 | 0.75 | -244.73 | 10 | 6 | 4 | 107 | 322.538 | 17 | ↓ |
Hi High (pH 8-9.5) | -2.14 | -0.61 | -150.51 | 9 | 6 | 3 | 102 | 321.53 | 17 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80193-5-O | L1210 (Lymphocytic Leukemia Cells) (cluster #5 Of 12), Other | Other | 60 | 0.46 | Functional ≤ 10μM |
Z80193-5-O | L1210 (Lymphocytic Leukemia Cells) (cluster #5 Of 12), Other | Other | 600 | 0.40 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2000 | 0.36 | Functional ≤ 10μM |