In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2010 | 38 | 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) | 5.54 | 8.16 | -108.08 | 10 | 6 | 2 | 126 | 602.434 | 12 | ↓ |
Hi High (pH 8-9.5) | 5.54 | 6.71 | -48.54 | 9 | 6 | 1 | 121 | 601.426 | 12 | ↓ |