| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 37 | 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) | 4.21 | 12.18 | -19.02 | 0 | 7 | 0 | 60 | 496.611 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 14.39 | -59.06 | 1 | 7 | 1 | 61 | 497.619 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 14.21 | -42.96 | 1 | 7 | 1 | 61 | 497.619 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.21 | 15.08 | -133.01 | 2 | 7 | 2 | 62 | 498.627 | 8 | ↓ |
