| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2008 | 23 | No |
Popular Name: NSC632839hydrochloride NSC632839hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 157654-67-6
| 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) | 4.25 | 9.45 | -6.09 | 1 | 2 | 0 | 29 | 303.405 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 10.79 | -45.3 | 2 | 2 | 1 | 34 | 304.413 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 4), Other | Other | 8470 | 0.31 | ADME/T ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 1690 | 0.35 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 1690 | 0.35 | ADME/T ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 8470 | 0.31 | ADME/T ≤ 10μM |
