| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 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) | 3.52 | 8.18 | -14.3 | 2 | 7 | 0 | 92 | 475.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 7.14 | -49.22 | 1 | 7 | -1 | 94 | 474.36 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 8.24 | -37.99 | 3 | 7 | 1 | 94 | 476.376 | 6 | ↓ |
