| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2008 | 38 | 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) | 3.51 | 11.1 | -74.55 | 1 | 9 | 0 | 102 | 524.614 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 8.58 | -61.41 | 0 | 9 | -1 | 101 | 523.606 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 9.98 | -59.46 | 2 | 9 | 1 | 99 | 525.622 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 10.95 | -64.79 | 1 | 9 | 1 | 96 | 525.622 | 12 | ↓ |
