| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 34 | 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) | 6.23 | 15.34 | -12.66 | 1 | 4 | 0 | 54 | 491.588 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.76 | 14.21 | -49.93 | 0 | 4 | -1 | 56 | 490.58 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.76 | 15.47 | -38.83 | 2 | 4 | 1 | 55 | 492.596 | 7 | ↓ |
