In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 17 | 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) | 2.74 | 5.25 | -40.96 | 2 | 3 | 1 | 35 | 232.303 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 3.81 | -6.97 | 1 | 3 | 0 | 30 | 231.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.