In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2008 | 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) | 2.63 | 5.79 | -91.63 | 0 | 10 | -2 | 153 | 449.297 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 6.55 | -13.76 | 2 | 10 | 0 | 147 | 451.313 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.63 | 4.79 | -40.2 | 1 | 10 | -1 | 150 | 450.305 | 5 | ↓ |