| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 15 | 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) | 2.19 | 1.84 | -9.01 | 1 | 4 | 0 | 62 | 202.213 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | -0.79 | -48.85 | 0 | 4 | -1 | 65 | 201.205 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 2.2 | -43.21 | 2 | 4 | 1 | 64 | 203.221 | 1 | ↓ |
