In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 24 | 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) | 2.61 | 5.59 | -45.34 | 1 | 5 | -1 | 84 | 350.46 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 5.13 | -14.62 | 2 | 5 | 0 | 86 | 351.468 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.