| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 29 | 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) | 1.98 | 6.94 | -42.18 | 0 | 7 | -1 | 92 | 395.435 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.92 | -18.68 | 1 | 7 | 0 | 89 | 396.443 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 7.24 | -21.85 | 0 | 7 | 0 | 86 | 396.443 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 7.52 | -66.62 | 1 | 7 | 1 | 87 | 397.451 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 6.83 | -50.34 | 2 | 7 | 1 | 90 | 397.451 | 9 | ↓ |
