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) | 4.24 | 13.81 | -20.14 | 1 | 7 | 0 | 80 | 495.627 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.24 | 14.4 | -35.39 | 2 | 7 | 1 | 81 | 496.635 | 8 | ↓ |