| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 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) | 2.79 | 9.46 | -70.71 | 1 | 8 | 0 | 102 | 515.607 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 7.17 | -59.02 | 0 | 8 | -1 | 101 | 514.599 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | -2.96 | -54.8 | 1 | 8 | 1 | 96 | 516.615 | 8 | ↓ |
