| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 23 | No |
Popular Name: Allopregnanolone Allopregnanolone
Find On: PubMed — Wikipedia — Google
CAS Number: 128-20-1
| 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) | 4.18 | 8.16 | -5.55 | 1 | 2 | 0 | 37 | 318.501 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | ¡Ý98% | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301-2-O | GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other | Other | 80 | 0.43 | Binding ≤ 10μM |
| Z104301-2-O | GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other | Other | 155 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 145 | 0.42 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 145 | 0.42 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.