| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 28 | 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) | 4.92 | 7.42 | -36.87 | 1 | 8 | -1 | 123 | 398.42 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.92 | 6.5 | -14.98 | 2 | 8 | 0 | 121 | 399.428 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 7.95 | -97.83 | 0 | 8 | -2 | 122 | 397.412 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 7.16 | -47.86 | 1 | 8 | -1 | 119 | 398.42 | 5 | ↓ |
