In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 18 | 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) | 2.94 | 6.17 | -50.89 | 3 | 4 | -1 | 78 | 247.318 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 6.51 | -37.56 | 4 | 4 | 0 | 83 | 248.326 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 4.18 | -6.41 | 4 | 4 | 0 | 75 | 248.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.