In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 34 | 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) | 5.51 | 13.63 | -11.44 | 0 | 5 | 0 | 63 | 452.554 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.51 | 14.1 | -38.66 | 1 | 5 | 1 | 65 | 453.562 | 4 | ↓ |