| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 32 | 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) | 5.43 | 16.82 | -21.95 | 1 | 6 | 0 | 72 | 441.922 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 17.51 | -51.91 | 1 | 6 | -1 | 73 | 440.914 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 17.76 | -15.9 | 2 | 6 | 0 | 75 | 441.922 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.44 | 17.14 | -42.16 | 2 | 6 | 1 | 74 | 442.93 | 4 | ↓ |
