In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 38 | 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) | -4.51 | 12.32 | -76.32 | 2 | 8 | 2 | 77 | 528.738 | 17 | ↓ |
Hi High (pH 8-9.5) | -4.39 | 11.02 | -62.49 | 1 | 8 | 1 | 83 | 527.73 | 17 | ↓ |