In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 16 | 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) | -3.50 | 3.92 | -176.94 | 1 | 8 | -3 | 149 | 230.152 | 7 | ↓ |
Lo Low (pH 4.5-6) | -3.50 | -0.08 | -51.93 | 3 | 8 | -1 | 144 | 232.168 | 7 | ↓ |
Lo Low (pH 4.5-6) | -3.50 | 1.9 | -105.44 | 2 | 8 | -2 | 147 | 231.16 | 7 | ↓ |