| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 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) | 3.84 | 7.03 | -11.66 | 3 | 7 | 0 | 106 | 430.508 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 6.37 | -10.96 | 3 | 7 | 0 | 106 | 430.508 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | 7.31 | -60.87 | 4 | 7 | 1 | 108 | 431.516 | 6 | ↓ |
