In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | 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) | 2.71 | 9.54 | -67.08 | 1 | 6 | 0 | 78 | 398.434 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.71 | 8.79 | -44.83 | 2 | 6 | 1 | 75 | 399.442 | 6 | ↓ |