In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 12 | 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) | -0.29 | 1.39 | -8.02 | 0 | 3 | 0 | 33 | 182.248 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.29 | 3.92 | -43.83 | 1 | 3 | 1 | 34 | 183.256 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.