In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2010 | 42 | 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) | 4.79 | 11.15 | -50.94 | 4 | 12 | 1 | 148 | 569.646 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.79 | 8.92 | -16.77 | 3 | 12 | 0 | 146 | 568.638 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.