In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | -0.58 | -3 | -55.98 | 7 | 6 | 1 | 112 | 209.229 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.58 | -3.39 | -18.15 | 6 | 6 | 0 | 110 | 208.221 | 3 | ↓ |