In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 32 | 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) | 5.77 | 11.77 | -36.3 | 1 | 5 | -1 | 72 | 511.758 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.77 | 11 | -13.3 | 2 | 5 | 0 | 69 | 512.766 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.77 | 10.9 | -11.65 | 2 | 5 | 0 | 69 | 512.766 | 4 | ↓ |