| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 30 | 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) | 1.93 | 8.77 | -69.01 | 1 | 7 | 0 | 87 | 409.486 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 6.55 | -55.16 | 0 | 7 | -1 | 86 | 408.478 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 7.95 | -52.72 | 2 | 7 | 1 | 84 | 410.494 | 9 | ↓ |
