In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 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) | 2.83 | 6.54 | -31.07 | 3 | 8 | 0 | 116 | 481.574 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 7.69 | -72.17 | 2 | 8 | -1 | 119 | 480.566 | 8 | ↓ |