| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 30 | 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) | 3.95 | 10.05 | -59.64 | 0 | 5 | -1 | 73 | 417.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 11.1 | -10.85 | 0 | 5 | 0 | 67 | 418.518 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 10.16 | -18.48 | 1 | 5 | 0 | 71 | 418.518 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 11.38 | -45.12 | 1 | 5 | 1 | 69 | 419.526 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 10.44 | -50.41 | 2 | 5 | 1 | 72 | 419.526 | 5 | ↓ |
