| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 17 | 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) | 3.80 | 1.92 | -8.09 | 2 | 3 | 0 | 53 | 247.681 | 2 | ↓ |
| Ref Reference (pH 7) | 3.80 | 3.17 | -7.18 | 2 | 3 | 0 | 53 | 247.681 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 3.94 | -46.4 | 1 | 3 | -1 | 56 | 246.673 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 2.97 | -35.19 | 1 | 3 | -1 | 56 | 246.673 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 3.63 | -32.18 | 3 | 3 | 1 | 54 | 248.689 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 2.6 | -41.6 | 3 | 3 | 1 | 54 | 248.689 | 2 | ↓ |
