In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 41 | 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) | -5.26 | -0.78 | -226.47 | 17 | 16 | 3 | 297 | 587.747 | 20 | ↓ |
Hi High (pH 8-9.5) | -5.26 | -1.11 | -166.8 | 16 | 16 | 2 | 295 | 586.739 | 20 | ↓ |