| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 34 | 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) | 4.34 | 8.4 | -12.1 | 2 | 7 | 0 | 91 | 474.948 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 9.38 | -53.47 | 0 | 7 | -1 | 90 | 473.94 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 9.4 | -49.7 | 0 | 7 | -1 | 90 | 473.94 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 9.17 | -49.47 | 1 | 7 | -1 | 94 | 473.94 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | 8.82 | -39.82 | 3 | 7 | 1 | 93 | 475.956 | 6 | ↓ |
