| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 19 | 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) | 3.48 | 4.49 | -7.88 | 2 | 3 | 0 | 53 | 255.317 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 5.26 | -49.82 | 1 | 3 | -1 | 56 | 254.309 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 4.99 | -32.17 | 3 | 3 | 1 | 54 | 256.325 | 4 | ↓ |
