| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 38 | 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) | 3.54 | 6 | -52.89 | 1 | 10 | -1 | 144 | 565.738 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 6.1 | -223.36 | 0 | 10 | -3 | 152 | 563.722 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 5.34 | -37.16 | 1 | 10 | 0 | 144 | 565.738 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 6.44 | -110.98 | 1 | 10 | -2 | 150 | 564.73 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 5.64 | -48.64 | 1 | 10 | -1 | 144 | 565.738 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 5.96 | -24.58 | 2 | 10 | 0 | 142 | 566.746 | 7 | ↓ |
