| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 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) | 3.67 | 5.46 | -55.45 | 1 | 8 | -1 | 100 | 454.528 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 5.54 | -71.23 | 2 | 8 | 0 | 101 | 455.536 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 7.55 | -51.88 | 3 | 8 | 0 | 98 | 456.544 | 7 | ↓ |
