In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 25 | Yes |
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) | 4.35 | 6.58 | -14.92 | 2 | 5 | 0 | 75 | 360.479 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 6.65 | -44.79 | 1 | 5 | -1 | 77 | 359.471 | 9 | ↓ |