In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 16 | 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) | 2.21 | 6.02 | -36.92 | 1 | 4 | -1 | 73 | 345.954 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 4.61 | -103.07 | 0 | 4 | -2 | 76 | 344.946 | 1 | ↓ |