In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 24 | Yes |
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) | 0.40 | 1.5 | -60.22 | 5 | 8 | 1 | 108 | 330.368 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.40 | 0.31 | -13.87 | 4 | 8 | 0 | 103 | 329.36 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.