In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 38 | 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) | 4.15 | 10.13 | -61.12 | 1 | 8 | -1 | 108 | 516.57 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 8.52 | -33.33 | 2 | 8 | 0 | 106 | 517.578 | 10 | ↓ |