| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2007 | 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) | 2.58 | 6.44 | -59.36 | 0 | 8 | -1 | 95 | 453.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 9.04 | -51.56 | 2 | 8 | 1 | 94 | 455.531 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | -0.44 | -48.53 | 1 | 8 | 1 | 90 | 455.531 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 8.77 | -76.91 | 1 | 8 | 0 | 96 | 454.523 | 9 | ↓ |
