In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 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) | 1.91 | 4.32 | -11.78 | 4 | 5 | 0 | 85 | 272.352 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 4.38 | -37.22 | 5 | 5 | 1 | 86 | 273.36 | 6 | ↓ |