| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | 3.96 | 11.15 | -80.68 | 2 | 7 | 0 | 94 | 486.568 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 8.63 | -63.57 | 1 | 7 | -1 | 93 | 485.56 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 10.28 | -46.4 | 3 | 7 | 1 | 92 | 487.576 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | -0.53 | -48.14 | 2 | 7 | 1 | 88 | 487.576 | 9 | ↓ |
