| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 4.08 | 8.8 | -61.18 | 0 | 6 | -1 | 79 | 449.31 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 9.1 | -16.64 | 1 | 6 | 0 | 76 | 450.318 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 9.08 | -13.43 | 0 | 6 | 0 | 73 | 450.318 | 8 | ↓ |
