| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 11 | Yes |
Popular Name: N-(Pyridin-2-ylmethyl)guanidine N-(Pyridin-2-ylmethyl)guanidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24067-29-6 , [24067-29-6]
| 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) | -0.60 | 1.85 | -31.59 | 5 | 4 | 1 | 77 | 151.193 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.60 | 2.2 | -90.06 | 6 | 4 | 2 | 78 | 152.201 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 82 | 0.90 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3B_MOUSE | Q9JHJ5 | Serotonin 3b (5-HT3b) Receptor, Mouse | 82 | 0.90 | Binding ≤ 1μM |
| 5HT3B_MOUSE | Q9JHJ5 | Serotonin 3b (5-HT3b) Receptor, Mouse | 82 | 0.90 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.