In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 34 | 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) | 4.17 | 11.56 | -67.55 | 1 | 7 | 0 | 83 | 486.996 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 10.79 | -50.49 | 2 | 7 | 1 | 81 | 488.004 | 11 | ↓ |