| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 33 | 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) | 0.01 | 3.83 | -99.89 | 5 | 10 | -1 | 171 | 456.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 1.81 | -135.28 | 4 | 10 | -2 | 170 | 455.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | 4.65 | -68.63 | 5 | 10 | 0 | 165 | 457.483 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | 5.35 | -105.43 | 4 | 10 | -1 | 168 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 3.9 | -127.15 | 5 | 10 | -1 | 171 | 456.475 | 3 | ↓ |
