| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2007 | 34 | 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) | 2.14 | 7.03 | -55.51 | 0 | 8 | -1 | 95 | 464.542 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 8.77 | -47.44 | 2 | 8 | 1 | 93 | 466.558 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | -1.12 | -53.61 | 1 | 8 | 1 | 90 | 466.558 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 9.38 | -72.51 | 1 | 8 | 0 | 96 | 465.55 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.59 | 9.06 | -115.01 | 3 | 8 | 2 | 95 | 467.566 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | -1.01 | -109.48 | 2 | 8 | 2 | 91 | 467.566 | 9 | ↓ |
