| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2006 | 30 | 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) | 1.23 | 7.66 | -42.33 | 0 | 7 | -1 | 95 | 400.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | -1.07 | -12.83 | 1 | 7 | 0 | 92 | 401.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | -1.2 | -21.83 | 0 | 7 | 0 | 89 | 401.422 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | -0.95 | -40.61 | 2 | 7 | 1 | 93 | 402.43 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | -0.95 | -48.05 | 2 | 7 | 1 | 93 | 402.43 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | -0.84 | -107.62 | 3 | 7 | 2 | 95 | 403.438 | 6 | ↓ |
