| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 27 | 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) | 5.51 | 6.44 | -12.69 | 3 | 6 | 0 | 90 | 433.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 7.21 | -57.47 | 2 | 6 | -1 | 93 | 432.342 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 7.24 | -51.74 | 2 | 6 | -1 | 93 | 432.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.51 | 8.33 | -20.19 | 3 | 6 | 0 | 95 | 433.35 | 5 | ↓ |
