In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 51 | 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) | 4.05 | 14.46 | -20.09 | 2 | 12 | 0 | 139 | 712.977 | 18 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80362-7-O | P388 (Lymphoma Cells) (cluster #7 Of 8), Other | Other | 1330 | 0.16 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80362 | Z80362 | P388 (Lymphoma Cells) | 1330 | 0.16 | Functional ≤ 10μM |