| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 31 | 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) | 3.37 | 9.46 | -53.06 | 1 | 6 | 1 | 56 | 421.517 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 6.55 | -9.94 | 0 | 6 | 0 | 55 | 420.509 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 8.74 | -47.15 | 1 | 6 | 1 | 56 | 421.517 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 11.6 | -125.74 | 2 | 6 | 2 | 58 | 422.525 | 5 | ↓ |
