In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 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) | 2.93 | 4.72 | -40.14 | 2 | 2 | 1 | 20 | 290.25 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 3.38 | -2.07 | 1 | 2 | 0 | 15 | 289.242 | 3 | ↓ |