In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 12 | No |
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) | 0.77 | 4.72 | -6.33 | 0 | 2 | 0 | 20 | 185.292 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.77 | 6.77 | -39.58 | 1 | 2 | 1 | 22 | 186.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.