In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 14 | 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) | 0.61 | 3.08 | -45.8 | 2 | 4 | 1 | 50 | 195.242 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 1.82 | -8.38 | 1 | 4 | 0 | 45 | 194.234 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.