In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 35 | 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) | 8.70 | 17.75 | -14.33 | 0 | 4 | 0 | 48 | 499.035 | 4 | ↓ |
Lo Low (pH 4.5-6) | 8.70 | 16.36 | -25.29 | 1 | 4 | 1 | 49 | 500.043 | 4 | ↓ |