In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 35 | 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) | 3.37 | 12.03 | -74.81 | 1 | 8 | 0 | 93 | 482.577 | 12 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 9.49 | -56.46 | 0 | 8 | -1 | 91 | 481.569 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 10.73 | -62.48 | 2 | 8 | 1 | 90 | 483.585 | 12 | ↓ |