| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 31 | 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) | 2.50 | 7.83 | -70.88 | 2 | 7 | 0 | 94 | 424.497 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5.49 | -62.94 | 1 | 7 | -1 | 93 | 423.489 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7 | -49.91 | 3 | 7 | 1 | 92 | 425.505 | 9 | ↓ |
