In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 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) | 3.02 | 10.51 | -48.02 | 0 | 7 | -1 | 91 | 457.897 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 9.38 | -19.45 | 1 | 7 | 0 | 88 | 458.905 | 5 | ↓ |