| 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) | 3.45 | 8.09 | -28.59 | 1 | 5 | 0 | 61 | 384.863 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 5.69 | -40.53 | 0 | 5 | -1 | 60 | 383.855 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 8.31 | -47.73 | 1 | 5 | 0 | 61 | 384.863 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 7.36 | -44.75 | 2 | 5 | 1 | 58 | 385.871 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 5.36 | -8.28 | 1 | 5 | 0 | 57 | 384.863 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 7.29 | -45.39 | 2 | 5 | 1 | 58 | 385.871 | 3 | ↓ |
