| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 21 | Yes |
Popular Name: 1,1,2-Triphenylethanol 1,1,2-Triphenylethanol
Find On: PubMed — Wikipedia — Google
CAS Number: 4428-13-1
| 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) | 4.11 | 0.64 | -4.37 | 1 | 1 | 0 | 20 | 274.363 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4855290 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80951-2-O | NIH3T3 (Fibroblasts) (cluster #2 Of 4), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 400 | 0.43 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.