| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 25 | No |
None
| 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 | 5.22 | -83.26 | 1 | 7 | -2 | 127 | 342.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.96 | -100.95 | 1 | 7 | -2 | 127 | 342.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 5.25 | -185.13 | 0 | 7 | -3 | 130 | 341.295 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 0.94 | -20.7 | 3 | 7 | 0 | 121 | 344.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 4.98 | -46.74 | 2 | 7 | -1 | 124 | 343.311 | 2 | ↓ |
