In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 6.82 | 17.77 | -16.87 | 0 | 5 | 0 | 47 | 495.667 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.82 | 18.28 | -44.5 | 1 | 5 | 1 | 49 | 496.675 | 10 | ↓ |