| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 32 | 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) | 3.07 | 8.62 | -28.84 | 1 | 7 | 0 | 75 | 433.508 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 8.71 | -50.18 | 1 | 7 | 0 | 75 | 433.508 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 6.28 | -47.22 | 0 | 7 | -1 | 74 | 432.5 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 8.12 | -45.95 | 2 | 7 | 1 | 72 | 434.516 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 5.76 | -11.8 | 1 | 7 | 0 | 71 | 433.508 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 8 | -50.07 | 2 | 7 | 1 | 72 | 434.516 | 4 | ↓ |
