In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2010 | 36 | No |
None
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) | 4.87 | 13.42 | -59.5 | 4 | 8 | 0 | 133 | 529.655 | 25 | ↓ |
Hi High (pH 8-9.5) | 4.87 | 13 | -49.97 | 3 | 8 | -1 | 131 | 528.647 | 25 | ↓ |