| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 38 | 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) | 4.14 | 9.17 | -58.8 | 0 | 8 | -1 | 91 | 519.618 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 11.44 | -72.24 | 1 | 8 | 0 | 93 | 520.626 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 10.69 | -48.05 | 2 | 8 | 1 | 90 | 521.634 | 13 | ↓ |
