| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 3.74 | 11.36 | -72.29 | 1 | 8 | 0 | 93 | 496.604 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 9.04 | -58.44 | 0 | 8 | -1 | 91 | 495.596 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 10.21 | -60.15 | 2 | 8 | 1 | 90 | 497.612 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 11.17 | -65.69 | 1 | 8 | 1 | 87 | 497.612 | 13 | ↓ |
