| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 23 | 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) | -0.90 | 0.4 | -79.66 | 4 | 7 | 0 | 117 | 320.345 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.90 | -1.09 | -63.87 | 3 | 7 | -1 | 113 | 319.337 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.48 | 0.78 | -68.34 | 4 | 7 | 1 | 112 | 321.353 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.90 | -0.59 | -57.68 | 5 | 7 | 1 | 115 | 321.353 | 7 | ↓ |
