In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 32 | 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) | 4.93 | 13.14 | -16.47 | 1 | 7 | 0 | 86 | 449.58 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.39 | 12.08 | -50.97 | 0 | 7 | -1 | 89 | 448.572 | 9 | ↓ |