In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 25 | Yes |
Popular Name: Plinabulin Plinabulin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 714272-27-2 , [714272-27-2]
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) | 2.77 | 0 | -11.27 | 3 | 6 | 0 | 94 | 336.395 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 0.32 | -38.82 | 4 | 6 | 1 | 95 | 337.403 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Target | VDA | Selleck Chemicals |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 15 | 0.44 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 13.5 | 0.44 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.