| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 25 | 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) | 5.01 | 6.58 | -10.12 | 2 | 5 | 0 | 75 | 354.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.01 | 7.92 | -45.16 | 1 | 5 | -1 | 78 | 353.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.01 | 7.48 | -46.97 | 1 | 5 | -1 | 78 | 353.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 7.48 | -105.65 | 0 | 5 | -2 | 76 | 352.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 6.68 | -45.55 | 1 | 5 | -1 | 74 | 353.423 | 4 | ↓ |
