| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 3.67 | 9.19 | -62.4 | 1 | 7 | -1 | 103 | 449.508 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 7.39 | -21.8 | 2 | 7 | 0 | 100 | 450.516 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 8.57 | -16.99 | 1 | 7 | 0 | 97 | 450.516 | 6 | ↓ |
