In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 23 | 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) | 2.45 | 8.46 | -14.71 | 2 | 4 | 0 | 62 | 318.392 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 8.3 | -49.73 | 1 | 4 | -1 | 65 | 317.384 | 8 | ↓ |