In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 31 | 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) | 1.39 | 6.72 | -63.89 | 0 | 7 | -1 | 86 | 418.473 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 9.05 | -75.92 | 1 | 7 | 0 | 87 | 419.481 | 7 | ↓ |