| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 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) | 4.48 | 7.17 | -13.14 | 3 | 8 | 0 | 108 | 499.995 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.76 | -44.18 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.44 | -54.64 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 8.28 | -40.19 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 7.95 | -48.91 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
