In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 31 | 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) | 2.10 | 3.61 | -45.78 | 0 | 9 | -1 | 112 | 425.417 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 6.07 | -13.63 | 1 | 9 | 0 | 109 | 426.425 | 7 | ↓ |