| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 27 | Yes |
Popular Name: 3-(5-TERT-BUTYL-2-HYDROXYPHENYL)-3-PHENYLINDOLIN-2-ONE 3-(5-TERT-BUTYL-2-HYDROXYPHENYL)…
Find On: PubMed — Wikipedia — Google
CAS Number: 685890-94-2
| 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) | 5.78 | 8.99 | -8.08 | 2 | 3 | 0 | 49 | 357.453 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 2490 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 2490 | 0.29 | Functional ≤ 10μM |
