| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2007 | 36 | 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) | 2.98 | 9.92 | -58.39 | 0 | 8 | -1 | 101 | 487.532 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 9.47 | -18.55 | 1 | 8 | 0 | 98 | 488.54 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 0.46 | -16.76 | 0 | 8 | 0 | 95 | 488.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 9.75 | -48.88 | 2 | 8 | 1 | 99 | 489.548 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 0.57 | -47.64 | 1 | 8 | 1 | 96 | 489.548 | 9 | ↓ |
