| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 2005 | 22 | Yes |
Popular Name: Bis-(4-chloro-phenyl)-pyridin-3-yl-methanol Bis-(4-chloro-phenyl)-pyridin-3-…
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CAS Number: 17781-31-6
Bis(4-chlorophenyl)(pyridin-3-yl)methanol
Bis(4-chlorophenyl)pyridin-3-yl-methanol
| 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) | 4.64 | 8.15 | -5.94 | 1 | 2 | 0 | 33 | 330.214 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.64 | 8.71 | -37.43 | 2 | 2 | 1 | 34 | 331.222 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-1-E | Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 150 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 150 | 0.43 | Binding ≤ 1μM |
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 150 | 0.43 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.