| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 30 | 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) | 3.90 | 10.66 | -58.09 | 0 | 5 | -1 | 73 | 425.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 10.63 | -24.18 | 1 | 5 | 0 | 71 | 426.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 4.68 | -37.14 | 2 | 6 | 1 | 69 | 305.402 | 3 | ↓ |
