| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 25 | 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) | 2.65 | 5.69 | -7.01 | 2 | 5 | 0 | 101 | 394.276 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 7.22 | -100.01 | 3 | 5 | 2 | 101 | 396.292 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 5.5 | -46.82 | 3 | 5 | 1 | 102 | 395.284 | 1 | ↓ |
