In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 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) | 1.59 | 8.31 | -48.78 | 2 | 4 | -1 | 69 | 247.318 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 7.67 | -28.47 | 3 | 4 | 0 | 71 | 248.326 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 8.15 | -64.4 | 3 | 4 | 0 | 71 | 248.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.