In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | 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) | 1.25 | 1.73 | -44.45 | 6 | 6 | 1 | 103 | 311.793 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.25 | -0.2 | -24.37 | 5 | 6 | 0 | 101 | 310.785 | 4 | ↓ |