| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 30 | 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) | 1.25 | 8.95 | -150.42 | 3 | 8 | 1 | 96 | 418.493 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 6.49 | -73.3 | 2 | 8 | 0 | 95 | 417.485 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 4.5 | -55.9 | 1 | 8 | -1 | 94 | 416.477 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 8.01 | -139.33 | 4 | 8 | 2 | 93 | 419.501 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.02 | -54.63 | 3 | 8 | 1 | 92 | 418.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.97 | -89.38 | 2 | 8 | 0 | 95 | 417.485 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 4.82 | -91.07 | 4 | 8 | 2 | 97 | 419.501 | 6 | ↓ |
