In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 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) | 4.56 | 9.81 | -17.87 | 1 | 5 | 0 | 64 | 431.561 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.56 | 10.91 | -43.25 | 2 | 5 | 1 | 69 | 432.569 | 6 | ↓ |