In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 22 | No |
Popular Name: 23599-45-3; C09638; Cinnamodial 23599-45-3; C09638; Cinnamodial
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CAS Number: 23599-45-3
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) | 2.81 | 2.76 | -11.58 | 1 | 5 | 0 | 80 | 308.374 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80071-1-O | CEM-0 (T-cell Leukemia) (cluster #1 Of 2), Other | Other | 1610 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80071 | Z80071 | CEM-0 (T-cell Leukemia) | 1610 | 0.37 | Functional ≤ 10μM |