| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 18 | Yes |
| 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) | 1.80 | 7.2 | -116.17 | 4 | 3 | 2 | 45 | 251.418 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 5.42 | -3.21 | 2 | 3 | 0 | 42 | 249.402 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 7.17 | -24.96 | 3 | 3 | 1 | 43 | 250.41 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.22 | -44.38 | 3 | 3 | 1 | 44 | 250.41 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 5.36 | -101.33 | 4 | 3 | 2 | 45 | 251.418 | 7 | ↓ |
