| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 28 | 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) | 3.50 | 7.2 | -10.36 | 2 | 5 | 0 | 101 | 379.414 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 3.96 | -125.37 | 3 | 5 | 2 | 101 | 381.43 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 7.02 | -52.08 | 3 | 5 | 1 | 102 | 380.422 | 3 | ↓ |
