| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 35 | 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) | 2.11 | 6.95 | -60 | 0 | 9 | -1 | 99 | 475.525 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 9.07 | -47.36 | 2 | 9 | 1 | 98 | 477.541 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 9.6 | -88.83 | 3 | 9 | 2 | 99 | 478.549 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 9.3 | -69.87 | 1 | 9 | 0 | 101 | 476.533 | 7 | ↓ |
