In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 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) | 3.25 | 11.33 | -52.42 | 2 | 7 | 1 | 80 | 530.567 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 8.94 | -14 | 1 | 7 | 0 | 79 | 529.559 | 4 | ↓ |