In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 37 | 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) | 4.94 | 12.47 | -16.17 | 1 | 6 | 0 | 62 | 498.602 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.94 | 14.88 | -50.34 | 2 | 6 | 1 | 63 | 499.61 | 6 | ↓ |