In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 24 | 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) | 3.48 | 7.23 | -49.37 | 0 | 6 | -1 | 79 | 379.874 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 7.16 | -17.62 | 1 | 6 | 0 | 77 | 380.882 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.