| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 31 | 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) | 2.57 | 4.95 | -68.13 | 3 | 9 | 1 | 113 | 512.406 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 3.38 | -56.84 | 1 | 9 | -1 | 114 | 510.39 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 2.62 | -24.23 | 2 | 9 | 0 | 112 | 511.398 | 7 | ↓ |
