In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 39 | 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) | 6.35 | 13.27 | -61.75 | 0 | 8 | -1 | 101 | 534.629 | 14 | ↓ |
Mid Mid (pH 6-8) | 6.35 | 12.51 | -14.39 | 1 | 8 | 0 | 98 | 535.637 | 14 | ↓ |