| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2007 | 32 | 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 | 10.84 | -58.97 | 0 | 6 | -1 | 79 | 501.397 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 10.78 | -20.78 | 0 | 6 | 0 | 73 | 502.405 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 9.44 | -29.69 | 1 | 6 | 0 | 76 | 502.405 | 8 | ↓ |
