| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 38 | 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) | 4.39 | 14.8 | -71.65 | 1 | 9 | 0 | 120 | 515.566 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 12.27 | -54.22 | 0 | 9 | -1 | 119 | 514.558 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 2.13 | -58.08 | 1 | 9 | 1 | 113 | 516.574 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 14.31 | -54.75 | 2 | 9 | 1 | 117 | 516.574 | 9 | ↓ |
