In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 16 | 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) | 0.85 | 4.91 | -35.92 | 3 | 3 | 1 | 48 | 223.271 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 4.39 | -8.84 | 2 | 3 | 0 | 46 | 222.263 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.