| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 29 | No |
(3beta)-solanid-5-en-3-ol; solanid-5-en-3beta-ol
3-beta-Solanid-5-en-3-ol; CPD-9217; Solanid-5-en-3beta-ol; Solatubine; solanidin; solanidine
| 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) | 5.94 | 0.27 | -33.36 | 2 | 2 | 1 | 24 | 398.655 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0007116A1; EP0044984A1; EP0840790A1; US4246164; US4399284; US5614408; US5846908; US5958770; US5959180; US6121195; US6126924; US6149912; WO1991010743A1; WO1996027572A1; WO1997004107A1; WO1998034471A1; WO1998058543A1; WO1999001564A1; WO1999043837A1; WO199 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 441 | 0.31 | Binding ≤ 10μM |
| SGMR1-2-E | Sigma Opioid Receptor (cluster #2 Of 6), Eukaryotic | Eukaryotes | 74 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 441 | 0.31 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 74 | 0.34 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 441 | 0.31 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 74 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis |
