| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2006 | 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) | 3.34 | 5.25 | -11.18 | 1 | 4 | 0 | 48 | 265.316 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 3.79 | -50.37 | 0 | 4 | -1 | 52 | 264.308 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 3.27 | -53.34 | 0 | 4 | -1 | 52 | 264.308 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 6.31 | -39.51 | 2 | 4 | 0 | 50 | 266.324 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 6.02 | -51.38 | 2 | 4 | 0 | 50 | 266.324 | 2 | ↓ |
