| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 29 | 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) | 0.98 | 5.86 | -53.02 | 2 | 7 | 1 | 70 | 400.547 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.64 | -14.93 | 1 | 7 | 0 | 69 | 399.539 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 4.44 | -41.56 | 2 | 7 | 1 | 70 | 400.547 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.98 | -44.38 | 2 | 7 | 1 | 70 | 400.547 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 6.25 | -104.03 | 3 | 7 | 2 | 71 | 401.555 | 4 | ↓ |
