| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 31 | 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) | 1.56 | 7.13 | -84.79 | 1 | 8 | 0 | 96 | 445.541 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.58 | -65.93 | 0 | 8 | -1 | 95 | 444.533 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 7.77 | -48.61 | 1 | 8 | 1 | 90 | 446.549 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 7.61 | -45.99 | 2 | 8 | 1 | 93 | 446.549 | 7 | ↓ |
