In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 37 | Yes |
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) | 3.37 | 6.23 | -18.81 | 2 | 9 | 0 | 105 | 498.539 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 7.21 | -30.38 | 3 | 9 | 1 | 107 | 499.547 | 6 | ↓ |