In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 33 | 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) | 1.37 | 5.82 | -24.82 | 3 | 10 | 0 | 146 | 471.491 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 5.85 | -48.42 | 2 | 10 | -1 | 144 | 470.483 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.