| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | 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) | 4.59 | 10.79 | -11.72 | 1 | 5 | 0 | 71 | 444.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 11.45 | -19.33 | 0 | 5 | 0 | 67 | 444.506 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.04 | 10.82 | -53.6 | 2 | 5 | 1 | 72 | 445.514 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.01 | 11.81 | -49.57 | 1 | 5 | 1 | 69 | 445.514 | 6 | ↓ |
