| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 17 | Yes |
Popular Name: 1-(3-Phenoxyphenyl)guanidine 1-(3-Phenoxyphenyl)guanidine
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CAS Numbers: 107771-82-4 , [107771-82-4]
| 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) | 2.60 | 6.42 | -35.05 | 5 | 4 | 1 | 73 | 228.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 5.96 | -11.14 | 4 | 4 | 0 | 74 | 227.267 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052-3-O | C8166 (Leukemic T-cells) (cluster #3 Of 3), Other | Other | 8000 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 8000 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.