| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 16 | Yes |
Popular Name: N,N'-diphenylguanidine N,N'-diphenylguanidine
Find On: PubMed — Wikipedia — Google
CAS Number: 102-06-7
| 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) | 3.36 | 7.84 | -27.56 | 4 | 3 | 1 | 50 | 224.372 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 148-150? | Alfa-Aesar |
| Melting_Point | 148-150° | Alfa-Aesar |
| Boiling_Point | 170? dec. | Alfa-Aesar |
| Boiling_Point | 170° dec. | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-6-E | Sigma Opioid Receptor (cluster #6 Of 6), Eukaryotic | Eukaryotes | 71 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 48 | 0.64 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 48 | 0.64 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.