| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 28 | 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) | 0.50 | 7.28 | -71.06 | 1 | 7 | 0 | 91 | 400.504 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 6.94 | -44.88 | 2 | 7 | 1 | 88 | 401.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 7.42 | -47.52 | 1 | 7 | 1 | 85 | 401.512 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 7.7 | -110.42 | 2 | 7 | 2 | 86 | 402.52 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 7.22 | -102.34 | 3 | 7 | 2 | 89 | 402.52 | 7 | ↓ |
