In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2011 | 22 | 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) | 2.03 | 4.65 | -8.17 | 0 | 5 | 0 | 42 | 312.454 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 6.77 | -35.97 | 1 | 5 | 1 | 43 | 313.462 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.