| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 21 | No |
Popular Name: 3-Hydroxybenzo[a]pyrene 3-Hydroxybenzo[a]pyrene
Find On: PubMed — Wikipedia — Google
CAS Number: 13345-21-6
| 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) | 5.74 | -0.45 | -10.06 | 1 | 1 | 0 | 20 | 268.315 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-5-E | Estrogen Receptor Alpha (cluster #5 Of 5), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| ESR2-4-E | Estrogen Receptor Beta (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 1100 | 0.40 | Binding ≤ 10μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 1100 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
