In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 12 | 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) | 0.94 | 1.72 | -11.72 | 1 | 4 | 0 | 63 | 163.132 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.40 | -0.91 | -44.81 | 0 | 4 | -1 | 66 | 162.124 | 1 | ↓ |