| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 28 | 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) | 1.61 | 7.33 | -21.83 | 2 | 8 | 0 | 102 | 420.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 6.09 | -49.45 | 1 | 8 | -1 | 108 | 419.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 3.29 | -41.12 | 3 | 8 | 1 | 110 | 421.503 | 7 | ↓ |
