In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 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) | 4.10 | 11.46 | -14.64 | 0 | 9 | 0 | 109 | 499.523 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 13.71 | -50.85 | 1 | 9 | 1 | 110 | 500.531 | 6 | ↓ |