| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 32 | Yes |
| 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) | 3.47 | 15.06 | -51.77 | 1 | 7 | 1 | 57 | 456.014 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 13.11 | -32.69 | 1 | 7 | 1 | 57 | 456.014 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 12.7 | -9.43 | 0 | 7 | 0 | 56 | 455.006 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 15.48 | -93.76 | 2 | 7 | 2 | 58 | 457.022 | 3 | ↓ |
