| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 14 | Yes |
Popular Name: 4-(2-(METHYLTHIO)PYRIMIDIN-4-YL)-1H-PYRAZOL-5-AMINE 4-(2-(METHYLTHIO)PYRIMIDIN-4-YL)…
Find On: PubMed — Wikipedia — Google
CAS Number: 956722-10-4
| 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) | 1.08 | 2.43 | -12.17 | 3 | 5 | 0 | 80 | 207.262 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 2.6 | -39.43 | 4 | 5 | 1 | 82 | 208.27 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
