| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 31 | 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) | 2.93 | 10.72 | -57.94 | 1 | 5 | -1 | 78 | 471.027 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 12.22 | -36.08 | 2 | 5 | -1 | 73 | 471.027 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.86 | 12.23 | -16.36 | 2 | 5 | 0 | 67 | 472.035 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.84 | 10.56 | -56.66 | 0 | 5 | -1 | 76 | 471.027 | 5 | ↓ |
