In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 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) | 3.96 | 11.46 | -36.92 | 1 | 6 | 0 | 72 | 418.493 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 10.94 | -59.8 | 2 | 6 | 1 | 69 | 419.501 | 5 | ↓ |