| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 28 | No |
Popular Name: Longikaurin E Longikaurin E
Find On: PubMed — Wikipedia — Google
CAS Number: [77949-42-9]
| 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) | 2.18 | 5.94 | -9.99 | 2 | 6 | 0 | 93 | 390.476 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 1800 | 0.29 | Functional ≤ 10μM |
| Z80224-7-O | MCF7 (Breast Carcinoma Cells) (cluster #7 Of 14), Other | Other | 1900 | 0.29 | Functional ≤ 10μM |
| Z80526-1-O | SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 2400 | 0.28 | Functional ≤ 10μM |
| Z80682-6-O | A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other | Other | 3900 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 3900 | 0.27 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1800 | 0.29 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1900 | 0.29 | Functional ≤ 10μM |
| Z80526 | Z80526 | SW480 (Colon Adenocarcinoma Cells) | 2400 | 0.28 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.