| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 25 | Yes |
Popular Name: Bax channel blocker Bax channel blocker
Find On: PubMed — Wikipedia — Google
CAS Number: 335165-68-9
| 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) | 3.79 | 7.49 | -48.04 | 3 | 4 | 1 | 42 | 468.213 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 5.15 | -8.46 | 2 | 4 | 0 | 40 | 467.205 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 6.5 | -46.29 | 3 | 4 | 1 | 45 | 468.213 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 6300 | 0.29 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 520 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 520 | 0.35 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 6300 | 0.29 | Functional ≤ 10μM |
