| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 28 | Yes |
| 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) | 2.64 | 1.76 | -14.57 | 4 | 7 | 0 | 110 | 399.834 | 4 | ↓ |
| Ref Reference (pH 7) | 2.64 | 1.7 | -11.49 | 4 | 7 | 0 | 110 | 399.834 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 1.5 | -56.01 | 2 | 7 | -1 | 109 | 398.826 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 2.07 | -53.19 | 2 | 7 | -1 | 109 | 398.826 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 2.53 | -46.49 | 3 | 7 | -1 | 113 | 398.826 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 2.47 | -50.15 | 3 | 7 | -1 | 113 | 398.826 | 4 | ↓ |
