In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 27 | 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) | 1.81 | 10.4 | -12.93 | 0 | 11 | 0 | 123 | 369.341 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 10.87 | -44.63 | 1 | 11 | 1 | 125 | 370.349 | 2 | ↓ |