| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 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) | 1.73 | 7.51 | -50.16 | 0 | 7 | -1 | 86 | 432.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 9.77 | -61.47 | 1 | 7 | 0 | 87 | 433.508 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 10.3 | -113.55 | 3 | 7 | 2 | 85 | 435.524 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 11.2 | -111.66 | 2 | 7 | 1 | 88 | 434.516 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 9.02 | -43.98 | 2 | 7 | 1 | 84 | 434.516 | 8 | ↓ |
