| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 20 | 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) | 0.62 | -0.13 | -43.5 | 3 | 5 | 1 | 74 | 305.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 1.04 | -10.64 | 2 | 5 | 0 | 70 | 304.456 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.62 | 1.55 | -124.8 | 4 | 5 | 2 | 75 | 306.472 | 7 | ↓ |
