| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2014 | 12 | No |
Popular Name: 7-Methylxanthine 7-Methylxanthine
Find On: PubMed — Wikipedia — Google
CAS Number: 552-62-5
| 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) | -1.28 | -4.17 | -14.1 | 2 | 6 | 0 | 74 | 168.156 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.