In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 29 | 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) | 5.07 | 8.68 | -36.48 | 1 | 5 | -1 | 78 | 432.859 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 9.78 | -12.35 | 2 | 5 | 0 | 75 | 433.867 | 4 | ↓ |