| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 36 | Yes |
| 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) | 4.48 | 7.28 | -18.32 | 3 | 8 | 0 | 108 | 493.604 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 7.67 | -54.93 | 1 | 8 | -1 | 107 | 492.596 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 7.34 | -59.48 | 1 | 8 | -1 | 107 | 492.596 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 8.26 | -43.72 | 2 | 8 | -1 | 111 | 492.596 | 10 | ↓ |
