| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 25 | Yes |
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CAS Number: 80428-17-7
| 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) | 3.25 | 9.5 | -35.47 | 2 | 4 | 1 | 35 | 341.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 7.34 | -5.05 | 1 | 4 | 0 | 34 | 340.467 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 10.86 | -115.98 | 3 | 4 | 2 | 40 | 342.483 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.