In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 36 | 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) | 2.33 | 13.09 | -60.87 | 2 | 10 | 0 | 149 | 495.532 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 11.97 | -71.7 | 1 | 10 | -1 | 145 | 494.524 | 9 | ↓ |