In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 10 | Yes |
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) | -0.91 | -0.2 | -37.74 | 3 | 4 | 0 | 77 | 145.158 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.91 | -1.46 | -44.57 | 2 | 4 | -1 | 72 | 144.15 | 2 | ↓ |