| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2009 | 7 | Yes |
Popular Name: 5-Methylthiophen-3-amine 5-Methylthiophen-3-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 153137-85-0 , 24030-01-1 , [153137-85-0] , [24030-01-1]
| 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) | 1.23 | 2.1 | -3.07 | 2 | 1 | 0 | 26 | 113.185 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 1.95 | -40.13 | 3 | 1 | 1 | 28 | 114.193 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0006154A1; EP0785200A2; US4263205 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.