| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 22 | 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) | 2.72 | 7.84 | -10.21 | 1 | 4 | 0 | 41 | 335.498 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 7.42 | -38.44 | 0 | 4 | -1 | 44 | 334.49 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 10.28 | -51.52 | 2 | 4 | 1 | 42 | 336.506 | 1 | ↓ |
