In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 24 | 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) | -3.09 | 1.21 | -70.71 | 5 | 9 | 0 | 146 | 342.396 | 7 | ↓ |
Hi High (pH 8-9.5) | -3.09 | 0.92 | -49.7 | 4 | 9 | -1 | 145 | 341.388 | 7 | ↓ |