In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 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) | 3.90 | 9.32 | -9.78 | 2 | 5 | 0 | 101 | 409.468 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.90 | 11.61 | -55.37 | 3 | 5 | 1 | 102 | 410.476 | 3 | ↓ |