In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 33 | 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) | 5.86 | 7.54 | -18.18 | 3 | 7 | 0 | 112 | 485.631 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.86 | 8.31 | -48.14 | 2 | 7 | -1 | 115 | 484.623 | 6 | ↓ |