In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 39 | No |
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) | 0.66 | 15.89 | -90.72 | 2 | 6 | 2 | 67 | 530.757 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.09 | 15.14 | -10.25 | 1 | 6 | 0 | 66 | 528.741 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 15.61 | -34.5 | 2 | 6 | 1 | 67 | 529.749 | 5 | ↓ |