| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2007 | 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) | 3.21 | 3.42 | -47.54 | 1 | 7 | -1 | 104 | 444.261 | 3 | ↓ |
| Ref Reference (pH 7) | 3.21 | 3.49 | -46.44 | 1 | 7 | -1 | 104 | 444.261 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 4.35 | -103.5 | 0 | 7 | -2 | 107 | 443.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 5.21 | -103.84 | 0 | 7 | -2 | 107 | 443.253 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 6.02 | -14.78 | 2 | 7 | 0 | 101 | 445.269 | 3 | ↓ |
