| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 33 | 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) | 3.41 | 5.41 | -19.42 | 3 | 8 | 0 | 108 | 451.523 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.98 | -50.06 | 1 | 8 | -1 | 107 | 450.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.7 | -64.2 | 1 | 8 | -1 | 107 | 450.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.56 | -45.26 | 2 | 8 | -1 | 111 | 450.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 6.17 | -59.15 | 2 | 8 | -1 | 111 | 450.515 | 9 | ↓ |
