In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 33 | 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) | 0.82 | 9.41 | -51.09 | 1 | 10 | 1 | 94 | 497.667 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 7.06 | -19.09 | 0 | 10 | 0 | 92 | 496.659 | 7 | ↓ |