In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 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) | 2.94 | 6.32 | -58.81 | 1 | 8 | -1 | 106 | 452.483 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 5.56 | -18.18 | 2 | 8 | 0 | 103 | 453.491 | 8 | ↓ |