| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 22 | 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) | -4.48 | -9.4 | -350.32 | 4 | 13 | -4 | 235 | 366.108 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.48 | -10.56 | -221.63 | 5 | 13 | -3 | 232 | 367.116 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.48 | -11.71 | -112.28 | 6 | 13 | -2 | 229 | 368.124 | 6 | ↓ |
