| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 27 | No |
Popular Name: 1-[(3R,3aR)-8-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone 1-[(3R,3aR)-8-methoxy-3-(4-nitro…
| 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) | 3.52 | 2.1 | -12.52 | 0 | 7 | 0 | 87 | 365.389 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 1800 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1800 | 0.30 | Functional ≤ 10μM |
