In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 15 | Yes |
None
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) | 2.56 | 7.82 | -40.18 | 1 | 2 | 1 | 22 | 224.349 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 5.12 | -5.27 | 0 | 2 | 0 | 20 | 223.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.