In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2011 | 33 | 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) | 4.41 | 9.92 | -44.35 | 2 | 8 | 1 | 91 | 473.981 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 7.46 | -14.03 | 1 | 8 | 0 | 90 | 472.973 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.