In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2005 | 34 | 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) | 2.22 | 9.44 | -14.77 | 2 | 8 | 0 | 110 | 450.454 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 7.87 | -54.72 | 1 | 8 | -1 | 113 | 449.446 | 4 | ↓ |