| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 33 | No |
Popular Name: Protopanaxadiol Protopanaxadiol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30636-90-9 , 7755-01-3 , [30636-90-9] , [7755-01-3]
24-dammarene-3beta,12beta,20R-triol; dammar-24-ene-3beta,12beta,20R-triol; protopanaxadiol
24-Dammarene-3beta,12beta-20R-triol
| 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) | 7.10 | 8.64 | -3.55 | 3 | 3 | 0 | 61 | 460.743 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 6620 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6620 | 0.22 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.