In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 14th, 2010 | 13 | Yes |
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) | 0.83 | 5 | -40.51 | 0 | 3 | -1 | 57 | 181.211 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 6.06 | -18.56 | 0 | 3 | 0 | 51 | 182.219 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 3.35 | -15.07 | 1 | 3 | 0 | 54 | 182.219 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.