| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 24 | 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) | 3.83 | 9.78 | -20.18 | 1 | 4 | 0 | 64 | 320.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 10.67 | -142.01 | 0 | 4 | -2 | 72 | 318.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 8.29 | -68.27 | 0 | 4 | 0 | 72 | 318.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.02 | -0.61 | -16.87 | 2 | 4 | 0 | 66 | 320.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 10.82 | -66.64 | 0 | 4 | -1 | 66 | 319.336 | 5 | ↓ |
