| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 24 | No |
Popular Name: Combretastatin A1 Combretastatin A1
Find On: PubMed — Wikipedia — Google
CAS Number: 109971-63-3
(Z)-3-Methoxy-6-(3,4,5-trimethoxystyryl)benzene-1,2-diol
3-Methoxy-6-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzene-1,2-diol
| 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) | 3.22 | -0.25 | -11.08 | 2 | 6 | 0 | 77 | 332.352 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.35 | Functional ≤ 10μM |
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 1 | 0.53 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 600 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 600 | 0.36 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 0.63 | 0.54 | Functional ≤ 10μM |
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 1100 | 0.35 | Functional ≤ 10μM |
