| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 17 | Yes |
Popular Name: Diethylnorspermine Diethylnorspermine
Find On: PubMed — Wikipedia — Google
CAS Number: 121749-39-1
BENSM; BENSPM; CPD-10690; N(1),N(11)-diethylnorspermine; N1,N11-bis(ethyl)norspermine
| 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) | -0.38 | 4.81 | -271.51 | 8 | 4 | 4 | 66 | 248.459 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 7000 | 0.42 | Functional ≤ 10μM |
| Z81072-7-O | Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other | Other | 650 | 0.51 | Functional ≤ 10μM |
| Z81248-2-O | Malme-3M (Melanoma Cells) (cluster #2 Of 3), Other | Other | 200 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 650 | 0.51 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 200 | 0.55 | Functional ≤ 10μM |
| Z81248 | Z81248 | Malme-3M (Melanoma Cells) | 200 | 0.55 | Functional ≤ 10μM |
