In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 13 | 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) | -0.76 | 2.05 | -17.77 | 0 | 3 | 0 | 37 | 201.291 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.76 | 4.14 | -55.86 | 1 | 3 | 1 | 39 | 202.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.