| 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 | 6.91 | -13.93 | 3 | 8 | 0 | 108 | 499.995 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.42 | -53.53 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.28 | -47.83 | 1 | 8 | -1 | 107 | 498.987 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 7.82 | -40.95 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 7.68 | -51.78 | 2 | 8 | -1 | 111 | 498.987 | 9 | ↓ |
