| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 32 | 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) | 4.68 | 8.92 | -54.57 | 1 | 7 | -1 | 103 | 499.337 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.68 | 9.84 | -107.92 | 0 | 7 | -2 | 106 | 498.329 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.68 | 8.03 | -12.16 | 2 | 7 | 0 | 100 | 500.345 | 7 | ↓ |
