In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 38 | No |
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) | 6.74 | 15.96 | -59.71 | 0 | 6 | -1 | 79 | 512.626 | 13 | ↓ |
Lo Low (pH 4.5-6) | 6.74 | 14.67 | -20.55 | 1 | 6 | 0 | 76 | 513.634 | 13 | ↓ |