| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 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) | 2.43 | 8.57 | -66.25 | 0 | 7 | -1 | 96 | 417.441 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | -0.28 | -20.93 | 1 | 7 | 0 | 92 | 418.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | -0.16 | -18.93 | 0 | 7 | 0 | 89 | 418.449 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 0.27 | -40.45 | 2 | 7 | 1 | 94 | 419.457 | 6 | ↓ |
