| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 25 | Yes |
| 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) | 3.86 | 11.23 | -11.61 | 1 | 5 | 0 | 52 | 334.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 12.75 | -111.12 | 3 | 5 | 2 | 58 | 336.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 11.83 | -42.17 | 2 | 5 | 1 | 56 | 335.431 | 4 | ↓ |
