In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 33 | 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) | 3.32 | 10.49 | -67.74 | 1 | 7 | 0 | 83 | 452.482 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 9.74 | -52.23 | 2 | 7 | 1 | 81 | 453.49 | 6 | ↓ |