In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 28 | Yes |
None
None
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) | 2.85 | 6.05 | -13.23 | 1 | 6 | 0 | 56 | 386.54 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 8.52 | -42.19 | 2 | 6 | 1 | 57 | 387.548 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.