In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 43 | 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) | -0.45 | 5.36 | -166.02 | 16 | 13 | 3 | 242 | 597.789 | 19 | ↓ |
Hi High (pH 8-9.5) | -0.45 | 5.03 | -94.52 | 15 | 13 | 2 | 241 | 596.781 | 19 | ↓ |