| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 29 | No |
Popular Name: trans-HR22C16 trans-HR22C16
Find On: PubMed — Wikipedia — Google
CAS Number: 462630-41-7
| 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) | 3.95 | -2.08 | -10.63 | 2 | 6 | 0 | 76 | 389.455 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.29 | Binding ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 8600 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 800 | 0.29 | Binding ≤ 1μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 7100 | 0.25 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 8600 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
No pre-computed analogs available. Try a structural similarity search.