| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 31 | 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) | 2.50 | 10.35 | -60.79 | 0 | 8 | -1 | 119 | 414.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 9.9 | -16.33 | 0 | 8 | 0 | 113 | 415.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 10.18 | -47.36 | 1 | 8 | 1 | 114 | 416.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 9.52 | -21.47 | 1 | 8 | 0 | 116 | 415.405 | 6 | ↓ |
