In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 16 | 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 | -1.56 | -57.39 | 6 | 5 | 1 | 100 | 222.268 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.71 | -1.96 | -17.97 | 5 | 5 | 0 | 98 | 221.26 | 5 | ↓ |