In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 31 | 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) | 5.29 | 11.86 | -9.95 | 1 | 6 | 0 | 72 | 480.417 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.82 | 10.79 | -45.38 | 0 | 6 | -1 | 74 | 479.409 | 10 | ↓ |