In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | No |
None
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) | 0.91 | 8.35 | -45.4 | 0 | 5 | -1 | 86 | 222.22 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.91 | 6.36 | -11.38 | 1 | 5 | 0 | 83 | 223.228 | 5 | ↓ |