In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 33 | 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) | 5.66 | 13.52 | -50.24 | 1 | 6 | -1 | 91 | 474.587 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.66 | 13.97 | -55.4 | 2 | 6 | 0 | 92 | 475.595 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.