In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 15 | 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) | -0.10 | 7.04 | -48.82 | 1 | 4 | 1 | 42 | 213.301 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 5.9 | -69.6 | 1 | 4 | 0 | 48 | 212.293 | 2 | ↓ |