| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 8-allyl-7-hydroxy-coumarin 8-allyl-7-hydroxy-coumarin
| 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) | 2.73 | 1.36 | -12.33 | 1 | 3 | 0 | 50 | 202.209 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1-2-E | Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 990 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 990 | 0.56 | Binding ≤ 1μM |
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 990 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis |
