In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 2.83 | 9.24 | -49.52 | 4 | 13 | 1 | 160 | 518.558 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 6.7 | -20.34 | 3 | 13 | 0 | 159 | 517.55 | 10 | ↓ |