In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 31 | 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) | 3.43 | 11.5 | -44.49 | 0 | 5 | -1 | 73 | 415.444 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 10.37 | -20.94 | 1 | 5 | 0 | 71 | 416.452 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 10.81 | -50.47 | 2 | 5 | 1 | 72 | 417.46 | 5 | ↓ |