In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2009 | 27 | 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) | 4.02 | 10.63 | -20.87 | 1 | 5 | 0 | 66 | 421.613 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.47 | 9.56 | -50.66 | 0 | 5 | -1 | 69 | 420.605 | 9 | ↓ |