In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 14 | 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) | -0.09 | 1.82 | -11.61 | 1 | 5 | 0 | 66 | 233.318 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.09 | 1.33 | -35.94 | 0 | 5 | -1 | 64 | 232.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.