| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2014 | 20 | Yes |
Popular Name: Sumatriptan Sumatriptan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103628-46-2 , 103628-48-4
| 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) | 0.89 | 3.86 | -51.5 | 2 | 5 | 1 | 63 | 296.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 1.39 | -13.25 | 1 | 5 | 0 | 62 | 295.408 | 6 | ↓ |
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