| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 41 | 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) | 8.04 | 11.37 | -17.84 | 2 | 6 | 0 | 99 | 556.643 | 6 | ↓ |
| Hi High (pH 8-9.5) | 8.04 | 10.45 | -90.12 | 0 | 6 | -2 | 105 | 554.627 | 6 | ↓ |
| Hi High (pH 8-9.5) | 8.04 | 12.15 | -56.36 | 1 | 6 | -1 | 102 | 555.635 | 6 | ↓ |
| Mid Mid (pH 6-8) | 8.04 | 9.65 | -54.78 | 1 | 6 | -1 | 102 | 555.635 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 8.04 | 9.35 | -62.87 | 3 | 6 | 1 | 101 | 557.651 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 8.04 | 11.84 | -45.63 | 3 | 6 | 1 | 101 | 557.651 | 6 | ↓ |
