In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 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) | 1.66 | 6.59 | -18.07 | 1 | 4 | 0 | 66 | 223.235 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 6.37 | -37.25 | 2 | 4 | 1 | 67 | 224.243 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.