In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 39 | 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) | 5.31 | 1.27 | -55.58 | 2 | 7 | 1 | 80 | 533.689 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 1.18 | -67.44 | 1 | 7 | 1 | 77 | 533.689 | 11 | ↓ |