| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 28 | 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) | 3.29 | 10.42 | -54.41 | 1 | 5 | 1 | 57 | 391.472 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 7.5 | -11.39 | 0 | 5 | 0 | 56 | 390.464 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 7.94 | -43.33 | 1 | 5 | 1 | 57 | 391.472 | 3 | ↓ |
