| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 18 | Yes |
Popular Name: 1-(3-(Benzyloxy)phenyl)guanidine nitrate 1-(3-(Benzyloxy)phenyl)guanidine…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 209741-02-6 , N/A , [108800-18-6]
| 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) | 2.50 | 6.88 | -33.35 | 5 | 4 | 1 | 73 | 242.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 6.43 | -11.79 | 4 | 4 | 0 | 74 | 241.294 | 4 | ↓ |
| 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 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 8000 | 0.40 | Functional ≤ 10μM |
