In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 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) | 2.14 | 4.79 | -8.94 | 1 | 4 | 0 | 62 | 282.438 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 5.66 | -41.45 | 2 | 4 | 1 | 66 | 283.446 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.