| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 27 | No |
None
| 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) | 3.50 | 8.25 | -26.14 | 1 | 5 | 0 | 61 | 384.863 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 5.92 | -40.98 | 0 | 5 | -1 | 60 | 383.855 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 8.3 | -50.23 | 1 | 5 | 0 | 61 | 384.863 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 7.59 | -42.98 | 2 | 5 | 1 | 58 | 385.871 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 5.17 | -7.48 | 1 | 5 | 0 | 57 | 384.863 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 7.46 | -42.64 | 2 | 5 | 1 | 58 | 385.871 | 3 | ↓ |
