In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 23 | 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) | 6.72 | 11.31 | -48.11 | 1 | 3 | -1 | 60 | 323.497 | 16 | ↓ |
Lo Low (pH 4.5-6) | 6.72 | 10.19 | -9.79 | 2 | 3 | 0 | 58 | 324.505 | 16 | ↓ |
No pre-computed analogs available. Try a structural similarity search.