| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 28 | Yes |
Popular Name: 3-[(1S)-2-benzyl-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol 3-[(1S)-2-benzyl-6-chloro-1,3,4,…
| 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) | 5.50 | 9.8 | -6.36 | 2 | 3 | 0 | 39 | 388.898 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.50 | 11.6 | -41.65 | 3 | 3 | 1 | 40 | 389.906 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 710 | 0.31 | Binding ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 5700 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 710 | 0.31 | Binding ≤ 1μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 710 | 0.31 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 5700 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
