| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 29 | 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) | 1.61 | 4.89 | -71.12 | 1 | 8 | -1 | 112 | 400.407 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 5.42 | -16.06 | 2 | 8 | 0 | 109 | 401.415 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 5.95 | -15.34 | 1 | 8 | 0 | 106 | 401.415 | 9 | ↓ |
