| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 32 | Yes |
Popular Name: CYT997 CYT997
Find On: PubMed — Wikipedia — Google
CAS Numbers: 917111-44-5 , [917111-44-5]
| 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) | 4.19 | 8.62 | -12.65 | 3 | 8 | 0 | 101 | 434.544 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 9 | -36.4 | 4 | 8 | 1 | 102 | 435.552 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.19 | 9.47 | -88.21 | 5 | 8 | 2 | 104 | 436.56 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Microtubule Associated | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 60 | 0.32 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 60 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 60 | 0.32 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 60 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.