In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 26 | 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) | 0.50 | 0.99 | -44.96 | 1 | 9 | -1 | 109 | 359.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 2.77 | -9.56 | 2 | 9 | 0 | 106 | 360.37 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.