| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 13 | No |
Popular Name: 5-(3,4-dimethyl-1H-pyrrol-2-yl)-1,2,4-triazole-3-thione 5-(3,4-dimethyl-1H-pyrrol-2-yl)-…
| 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) | 1.01 | 4.19 | -15.24 | 1 | 4 | 0 | 54 | 192.247 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080772 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
