In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 35 | 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) | 3.00 | 9.67 | -48.49 | 2 | 7 | 1 | 67 | 482.645 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 7.44 | -12.71 | 1 | 7 | 0 | 65 | 481.637 | 8 | ↓ |