In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 25 | 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) | 3.42 | 2.8 | -41.27 | 1 | 6 | -1 | 95 | 465.077 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 3.59 | -88.73 | 0 | 6 | -2 | 98 | 464.069 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 5.47 | -9.38 | 2 | 6 | 0 | 92 | 466.085 | 2 | ↓ |