In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 32 | 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) | 4.25 | 11.41 | -61.96 | 1 | 6 | 0 | 74 | 456.97 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 10.66 | -43.79 | 2 | 6 | 1 | 71 | 457.978 | 10 | ↓ |