In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 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) | 2.77 | 3.97 | -12.68 | 1 | 8 | 0 | 83 | 370.848 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 4.77 | -37.35 | 2 | 8 | 1 | 84 | 371.856 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.