| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 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) | 2.62 | 6.84 | -62.6 | 0 | 9 | -1 | 116 | 513.592 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 7.21 | -16.02 | 0 | 9 | 0 | 110 | 514.6 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.85 | -16.82 | 1 | 9 | 0 | 113 | 514.6 | 9 | ↓ |
