In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 30 | 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) | 4.31 | 8.24 | -12.02 | 1 | 4 | 0 | 53 | 426.85 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.31 | 9.01 | -52.85 | 0 | 4 | -1 | 56 | 425.842 | 3 | ↓ |
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 | 10000 | 0.23 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80415 | Z80415 | Ramos (Burkitts Lymhoma B-cells) | 10000 | 0.23 | Functional ≤ 10μM |