| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2011 | 20 | 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) | 3.64 | 8.63 | -37.46 | 3 | 4 | 1 | 47 | 277.436 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 6.39 | -4.98 | 2 | 4 | 0 | 45 | 276.428 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | 8.95 | -88.88 | 4 | 4 | 2 | 48 | 278.444 | 7 | ↓ |
