In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 34 | 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) | 5.82 | 11.5 | -14.71 | 1 | 4 | 0 | 53 | 466.968 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.82 | 12.3 | -50.09 | 0 | 4 | -1 | 56 | 465.96 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80415-1-O | Ramos (Burkitts Lymhoma B-cells) (cluster #1 Of 1), Other | Other | 4000 | 0.22 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80415 | Z80415 | Ramos (Burkitts Lymhoma B-cells) | 4000 | 0.22 | Functional ≤ 10μM |