In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 37 | 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) | 2.30 | 6.31 | -25.77 | 3 | 8 | 0 | 104 | 534.629 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 7.65 | -72.81 | 4 | 8 | 1 | 108 | 535.637 | 10 | ↓ |