In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 19 | 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) | 0.79 | -2.38 | -62.31 | 4 | 6 | -1 | 124 | 280.281 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.79 | -1.36 | -133.75 | 3 | 6 | -2 | 127 | 279.273 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.79 | -3.39 | -25.45 | 5 | 6 | 0 | 121 | 281.289 | 2 | ↓ |