| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 20 | 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) | 2.03 | 2.86 | -31.15 | 3 | 4 | 1 | 49 | 283.436 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.38 | -3.3 | 2 | 4 | 0 | 45 | 282.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 4.85 | -102.86 | 4 | 4 | 2 | 51 | 284.444 | 6 | ↓ |
