| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
| 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) | 1.55 | 2.41 | -39.05 | 3 | 4 | 1 | 49 | 301.476 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 2.1 | -3.53 | 2 | 4 | 0 | 48 | 300.468 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 4.25 | -97.72 | 4 | 4 | 2 | 51 | 302.484 | 9 | ↓ |
