| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2012 | 17 | No |
Popular Name: 1-Pyrenethiol 1-Pyrenethiol
Find On: PubMed — Wikipedia — Google
CAS Number: 3245-11-2
| 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) | 5.06 | 10.42 | -51.67 | 0 | 0 | -1 | 0 | 233.315 | 0 | ↓ |
| Mid Mid (pH 6-8) | 5.06 | 9.89 | -6.94 | 0 | 0 | 0 | 0 | 234.323 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4303689 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.