In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2007 | 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) | 2.47 | 1.52 | -56.97 | 2 | 9 | 1 | 98 | 485.557 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 1.37 | -65.87 | 1 | 9 | 1 | 95 | 485.557 | 11 | ↓ |