| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 35 | 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) | 4.44 | 6.84 | -11.68 | 3 | 8 | 0 | 108 | 499.995 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 6.78 | -51.46 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 6.43 | -56.78 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 7.5 | -42.4 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 7.61 | -49.74 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
