| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 30 | Yes |
Popular Name: (1R,5S)-3,8-bis(1-naphthylmethyl)-3,8-diazabicyclo[3.2.1]octane (1R,5S)-3,8-bis(1-naphthylmethyl…
| 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) | 5.73 | 15.39 | -36.67 | 1 | 2 | 1 | 8 | 393.554 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 12.94 | -4.54 | 0 | 2 | 0 | 6 | 392.546 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064-2-O | CCRF-CEM (T-cell Leukemia) (cluster #2 Of 9), Other | Other | 8000 | 0.24 | Functional ≤ 10μM |
| Z80068-5-O | CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #5 Of 5), Other | Other | 7000 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 8000 | 0.24 | Functional ≤ 10μM |
| Z80068 | Z80068 | CCRF-SB (Lymphoblastic Leukemia Cells) | 7000 | 0.24 | Functional ≤ 10μM |
