| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 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) | 4.65 | 12.45 | -50.82 | 0 | 6 | -1 | 79 | 472.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 10.75 | -25.55 | 1 | 6 | 0 | 76 | 473.5 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 11.72 | -16.75 | 0 | 6 | 0 | 73 | 473.5 | 7 | ↓ |
