| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | 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) | 2.65 | 8.9 | -42.35 | 0 | 8 | -1 | 101 | 473.505 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | -0.1 | -33.84 | 1 | 8 | 0 | 98 | 474.513 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 0.19 | -29.96 | 0 | 8 | 0 | 95 | 474.513 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 0.01 | -69.84 | 2 | 8 | 1 | 99 | 475.521 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 0.3 | -64.11 | 1 | 8 | 1 | 96 | 475.521 | 9 | ↓ |
