| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 38 | Yes |
Popular Name: 4-Tert-butyl-N-(5-hydroxy-4-methyl-2-(2-oxo-3-phenylindolin-3-yl) phenyl)benzenesulfonamide 4-Tert-butyl-N-(5-hydroxy-4-meth…
Find On: PubMed — Wikipedia — Google
CAS Number: 783324-18-5
| 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) | 6.92 | 9.72 | -14.23 | 3 | 6 | 0 | 95 | 526.658 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.92 | 9.84 | -59.49 | 2 | 6 | -1 | 98 | 525.65 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 1080 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 1080 | 0.22 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.