| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 30 | No |
Popular Name: (25S)-5beta-spirostan-3beta-ol (25S)-5beta-spirostan-3beta-ol
Find On: PubMed — Wikipedia — Google
CAS Number: 126-19-2
(25S)-5beta-spirostan-3beta-ol; (3beta,5beta,25S)-spirostan-3-ol; Parigenin
(25S)-5beta-Spirostan-3beta-ol; 126-19-2; C03963; Sarsasapogenin
| 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) | 6.12 | -1.06 | -4.17 | 1 | 3 | 0 | 38 | 416.646 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0204661A2; EP0496845A1; EP0496845B1; EP0740528A1; EP0776160A1; EP0776160B1; EP0797433A1; EP0800344A1; EP0831932A1; EP0901793A1; EP0977597A1; EP0981333A1; EP0983060A1; EP1000543A1; EP1017425A1; EP1046394A2; US4057543; US4562250; US4657766; US4684479; US4 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-4-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #4 Of 5), Other | Other | 3300 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 3300 | 0.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.