| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2010 | 35 | Yes |
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CAS Number: 439083-78-0
| 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) | 3.26 | 12.4 | -21.17 | 1 | 8 | 0 | 99 | 474.561 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 10.38 | -51.61 | 0 | 8 | -1 | 102 | 473.553 | 10 | ↓ |
