In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2010 | 21 | 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) | 2.66 | 6.45 | -11.03 | 3 | 3 | 0 | 51 | 289.26 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 6.77 | -29.42 | 4 | 3 | 1 | 52 | 290.268 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.