| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 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) | 3.06 | 5.72 | -63.45 | 1 | 8 | -1 | 108 | 517.352 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.48 | -119.23 | 0 | 8 | -2 | 111 | 516.344 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 4.93 | -14.86 | 2 | 8 | 0 | 106 | 518.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | -2.95 | -16.95 | 1 | 8 | 0 | 102 | 518.36 | 7 | ↓ |
