| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2004 | 29 | 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) | 3.43 | -7.34 | -17.08 | 2 | 9 | 0 | 138 | 433.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | -6.18 | -87.34 | 0 | 9 | -2 | 142 | 431.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | -6.76 | -35.75 | 1 | 9 | -1 | 140 | 432.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | -6.76 | -47.77 | 1 | 9 | -1 | 140 | 432.459 | 7 | ↓ |
