In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 27 | 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) | 8.60 | 18.3 | -133.16 | 0 | 4 | -2 | 80 | 380.569 | 19 | ↓ |
Lo Low (pH 4.5-6) | 8.60 | 16.16 | -49.15 | 1 | 4 | -1 | 77 | 381.577 | 19 | ↓ |
Lo Low (pH 4.5-6) | 8.60 | 16.32 | -55.45 | 1 | 4 | -1 | 77 | 381.577 | 19 | ↓ |