| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 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) | 4.22 | 9.45 | -43.74 | 1 | 8 | -1 | 108 | 496.58 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.67 | 7.41 | -30.21 | 2 | 8 | 0 | 106 | 497.588 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 8.43 | -24.84 | 1 | 8 | 0 | 102 | 497.588 | 13 | ↓ |
