| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 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) | 4.01 | 13.7 | -20.44 | 3 | 9 | 0 | 133 | 518.039 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 13.71 | -46.64 | 2 | 9 | -1 | 135 | 517.031 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 12.88 | -49.25 | 2 | 9 | -1 | 135 | 517.031 | 10 | ↓ |
