| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 32 | 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) | 1.72 | 7.41 | -70.65 | 1 | 8 | 0 | 102 | 457.552 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 4.86 | -59.23 | 0 | 8 | -1 | 101 | 456.544 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 6.58 | -53.56 | 2 | 8 | 1 | 99 | 458.56 | 8 | ↓ |
