| 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) | 4.12 | 6.23 | -43.36 | 3 | 2 | 1 | 31 | 313.918 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 8.36 | -31.17 | 3 | 2 | 1 | 30 | 313.918 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 5.93 | -1.65 | 2 | 2 | 0 | 29 | 312.91 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.12 | 8.78 | -121.45 | 4 | 2 | 2 | 32 | 314.926 | 3 | ↓ |
