In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 34 | 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) | 2.41 | 9.62 | -48.5 | 2 | 9 | 1 | 104 | 498.959 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 5.79 | -66.57 | 0 | 9 | -1 | 106 | 496.943 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 7.96 | -83.26 | 1 | 9 | 0 | 107 | 497.951 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 7.49 | -15.87 | 1 | 9 | 0 | 103 | 497.951 | 12 | ↓ |