In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 12 | 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) | 0.43 | 2.51 | -4.97 | 2 | 2 | 0 | 43 | 165.167 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.43 | 2.82 | -48.12 | 3 | 2 | 1 | 45 | 166.175 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.