| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 28 | Yes |
Popular Name: Calanolide E Calanolide E
Find On: PubMed — Wikipedia — Google
CAS Number: [142566-61-8]
| 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) | 1.79 | 0.7 | -12.47 | 2 | 6 | 0 | 93 | 388.46 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 2500 | 0.28 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 2500 | 0.28 | ADME/T ≤ 10μM |
