In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2011 | 14 | 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) | 2.45 | 8.66 | -28.37 | 1 | 2 | 1 | 19 | 213.732 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 8.08 | -4.74 | 0 | 2 | 0 | 18 | 212.724 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.