| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 36 | 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) | 2.84 | 9.48 | -70.79 | 1 | 9 | 0 | 102 | 498.576 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 6.96 | -58.06 | 0 | 9 | -1 | 101 | 497.568 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 10.18 | -53.38 | 1 | 9 | 1 | 96 | 499.584 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 9.09 | -46.71 | 2 | 9 | 1 | 99 | 499.584 | 10 | ↓ |
