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) | 1.80 | 2.77 | -12.37 | 1 | 4 | 0 | 50 | 209.245 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 3.7 | -55.51 | 0 | 4 | -1 | 53 | 208.237 | 3 | ↓ |