In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 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) | 0.56 | 2.8 | -45.13 | 2 | 4 | 1 | 46 | 225.312 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.56 | 1.61 | -6.73 | 1 | 4 | 0 | 42 | 224.304 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.