| 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) | 3.54 | 6.96 | -41.36 | 3 | 2 | 1 | 31 | 293.5 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 8.38 | -30.44 | 3 | 2 | 1 | 30 | 293.5 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 6.6 | -1.42 | 2 | 2 | 0 | 29 | 292.492 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 8.7 | -114.41 | 4 | 2 | 2 | 32 | 294.508 | 3 | ↓ |
