| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 38 | No |
| 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) | 4.73 | 12.46 | -75.66 | 2 | 7 | 0 | 94 | 514.622 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.73 | 10.27 | -61.67 | 1 | 7 | -1 | 93 | 513.614 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.18 | 12.57 | -49.43 | 3 | 7 | 1 | 92 | 515.63 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 12.34 | -49.13 | 2 | 7 | 1 | 88 | 515.63 | 11 | ↓ |
