| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 35 | 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) | 3.02 | 8.84 | -56.9 | 1 | 8 | 1 | 75 | 481.569 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 5.93 | -12.66 | 0 | 8 | 0 | 74 | 480.561 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.11 | -50.33 | 1 | 8 | 1 | 75 | 481.569 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 11.17 | -131.82 | 2 | 8 | 2 | 76 | 482.577 | 7 | ↓ |
