| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 27 | 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) | 3.03 | 5.94 | -7 | 2 | 5 | 0 | 101 | 420.314 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 1.18 | -99.18 | 3 | 5 | 2 | 101 | 422.33 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 5.77 | -45.14 | 3 | 5 | 1 | 102 | 421.322 | 1 | ↓ |
