In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 14 | 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) | -0.88 | 4.89 | -17.8 | 0 | 4 | 0 | 47 | 199.25 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 3.75 | -52.4 | 0 | 4 | -1 | 53 | 198.242 | 2 | ↓ |