| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 3.38 | 6.85 | -15.98 | 2 | 8 | 0 | 97 | 451.523 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 7.62 | -54.99 | 0 | 8 | -1 | 96 | 450.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 7.55 | -63.45 | 0 | 8 | -1 | 96 | 450.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.93 | -43.77 | 1 | 8 | -1 | 100 | 450.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.62 | -55.09 | 1 | 8 | -1 | 100 | 450.515 | 9 | ↓ |
