| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 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) | 1.53 | 3.23 | -64.49 | 2 | 7 | -1 | 110 | 382.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | -3.77 | -22.52 | 3 | 7 | 0 | 107 | 383.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | -3.7 | -27.59 | 2 | 7 | 0 | 104 | 383.4 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 2.4 | -17.96 | 3 | 7 | 0 | 107 | 383.4 | 6 | ↓ |
