In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 20 | No |
Popular Name: Muricatacin Muricatacin
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) | 4.50 | 9.94 | -7.32 | 1 | 3 | 0 | 47 | 284.44 | 12 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80186-3-O | K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other | Other | 40 | 0.52 | Functional ≤ 10μM |
Z81247-3-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #3 Of 9), Other | Other | 170 | 0.47 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 170 | 0.47 | Functional ≤ 10μM |
Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 40 | 0.52 | Functional ≤ 10μM |