| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 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) | 0.47 | 5.01 | -62.45 | 0 | 8 | -1 | 99 | 408.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 7.34 | -71.82 | 1 | 8 | 0 | 100 | 409.442 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 6.38 | -51.2 | 2 | 8 | 1 | 97 | 410.45 | 7 | ↓ |
