| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 28 | No |
Popular Name: 33390-21-5; Bikaverin; C10306 33390-21-5; Bikaverin; C10306
Find On: PubMed — Wikipedia — Google
CAS Number: 33390-21-5
| 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) | 3.06 | 6.18 | -14.86 | 2 | 8 | 0 | 123 | 382.324 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.97 | -60.15 | 1 | 8 | -1 | 126 | 381.316 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81054-2-O | SF-268 (Glioblastoma Cells) (cluster #2 Of 3), Other | Other | 380 | 0.32 | Functional ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 2), Other | Other | 420 | 0.32 | ADME/T ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 1), Other | Other | 430 | 0.32 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81054 | Z81054 | SF-268 (Glioblastoma Cells) | 380 | 0.32 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 420 | 0.32 | ADME/T ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 430 | 0.32 | ADME/T ≤ 10μM |
