| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | No |
Popular Name: 3-(3-hydroxy-4-methoxy-phenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione 3-(3-hydroxy-4-methoxy-phenyl)-4…
None
| 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) | 2.14 | 2.55 | -14.54 | 2 | 8 | 0 | 107 | 385.372 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7600 | 0.26 | Binding ≤ 10μM |
| TBB-1-E | Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7600 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 7600 | 0.26 | Binding ≤ 10μM |
| TBB_PIG | P02554 | Tubulin Beta Chain, Pig | 7600 | 0.26 | Binding ≤ 10μM |
