In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 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) | 3.87 | 8.97 | -63.62 | 0 | 9 | -1 | 107 | 512.579 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 7.81 | -31.88 | 1 | 9 | 0 | 104 | 513.587 | 12 | ↓ |