| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 36 | 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) | 3.99 | 10.62 | -76.06 | 2 | 8 | 0 | 104 | 496.604 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 8.08 | -59.69 | 1 | 8 | -1 | 102 | 495.596 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | -0.28 | -48.64 | 2 | 8 | 1 | 97 | 497.612 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 9.87 | -44.25 | 3 | 8 | 1 | 101 | 497.612 | 11 | ↓ |
