In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 32 | 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) | 2.87 | 11.41 | -68.72 | 1 | 9 | 0 | 124 | 441.484 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.87 | 10.59 | -49.02 | 2 | 9 | 1 | 121 | 442.492 | 10 | ↓ |