In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 15 | 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) | -0.71 | 3.27 | -54.94 | 3 | 3 | 0 | 68 | 219.162 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.71 | 3.03 | -44.3 | 2 | 3 | -1 | 66 | 218.154 | 3 | ↓ |