| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 34 | 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) | 0.62 | 5.84 | -44.1 | 0 | 9 | -1 | 124 | 477.522 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | -5.44 | -36.55 | 1 | 9 | 0 | 120 | 478.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.03 | -5.15 | -29.72 | 0 | 9 | 0 | 117 | 478.53 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | -5.33 | -76.32 | 2 | 9 | 1 | 122 | 479.538 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | -5.33 | -62.03 | 2 | 9 | 1 | 122 | 479.538 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | -5.22 | -117.42 | 3 | 9 | 2 | 123 | 480.546 | 6 | ↓ |
