| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 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) | 1.59 | 5.29 | -89.73 | 1 | 7 | -2 | 127 | 342.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 5.25 | -185.09 | 0 | 7 | -3 | 130 | 341.295 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.99 | -101.98 | 1 | 7 | -2 | 127 | 342.303 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 1.09 | -15.04 | 3 | 7 | 0 | 121 | 344.319 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 4.59 | -40.59 | 2 | 7 | -1 | 124 | 343.311 | 2 | ↓ |
