| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2010 | 35 | 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) | 1.98 | 5.47 | -62.76 | 1 | 9 | -1 | 110 | 475.525 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 7.73 | -75.04 | 2 | 9 | 0 | 112 | 476.533 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 6.99 | -57.2 | 3 | 9 | 1 | 109 | 477.541 | 6 | ↓ |
