| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 30 | No |
| 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) | 0.47 | 9.29 | -90.28 | 1 | 9 | 0 | 104 | 417.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 6.88 | -58.88 | 0 | 9 | -1 | 103 | 416.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.12 | 8.34 | -70.16 | 2 | 9 | 1 | 107 | 418.449 | 5 | ↓ |
