In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 1.44 | 5.63 | -70.39 | 2 | 8 | 0 | 104 | 424.453 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 4.89 | -50.45 | 3 | 8 | 1 | 101 | 425.461 | 6 | ↓ |