| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2006 | 20 | Yes |
Popular Name: 12S-hydroxy-16-heptadecynoic acid 12S-hydroxy-16-heptadecynoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 148019-74-3
| 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) | 4.70 | 9.35 | -48.5 | 1 | 3 | -1 | 60 | 281.416 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP4A4-1-E | Cytochrome P450 4A4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1800 | 0.40 | Binding ≤ 10μM |
| CP4A4-1-E | Cytochrome P450 4A4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4800 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP4A4_RABIT | P10611 | Cytochrome P450 4A4, Rabit | 4800 | 0.37 | Binding ≤ 10μM |
