| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 36 | 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) | 3.49 | 7.74 | -59.01 | 0 | 8 | -1 | 91 | 493.58 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.82 | -47.89 | 2 | 8 | 1 | 90 | 495.596 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 10.07 | -72.46 | 1 | 8 | 0 | 93 | 494.588 | 11 | ↓ |
