In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 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) | -0.10 | 5.25 | -8.37 | 0 | 4 | 0 | 46 | 191.234 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.10 | 5.7 | -37.02 | 1 | 4 | 1 | 47 | 192.242 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.