In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 13 | No |
None
None
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) | 1.52 | 1.75 | -11.87 | 2 | 4 | 0 | 75 | 180.159 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 2.77 | -48.94 | 1 | 4 | -1 | 77 | 179.151 | 2 | ↓ |