In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 35 | 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) | 2.63 | -1.11 | -50.69 | 3 | 9 | 1 | 109 | 550.426 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.05 | -1.26 | -59.72 | 2 | 9 | 1 | 106 | 550.426 | 10 | ↓ |