In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 42 | No |
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) | 5.08 | 12.82 | -60.48 | 5 | 11 | -1 | 168 | 574.706 | 15 | ↓ |
Lo Low (pH 4.5-6) | 5.08 | 12.69 | -70.91 | 6 | 11 | 0 | 169 | 575.714 | 15 | ↓ |
No pre-computed analogs available. Try a structural similarity search.