| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 18 | 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) | 4.05 | 5.77 | -7.67 | 1 | 3 | 0 | 45 | 301.143 | 1 | ↓ |
| Ref Reference (pH 7) | 4.31 | 6.1 | -29.79 | 2 | 3 | 1 | 43 | 302.151 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 4 | -42.62 | 0 | 3 | -1 | 48 | 300.135 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 3.5 | -46.16 | 0 | 3 | -1 | 48 | 300.135 | 1 | ↓ |
