| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 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) | 3.13 | 9.09 | -69.79 | 4 | 8 | 1 | 101 | 444.6 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 6.93 | -23.82 | 3 | 8 | 0 | 99 | 443.592 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 9.36 | -121.17 | 5 | 8 | 2 | 102 | 445.608 | 12 | ↓ |
