In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 15 | 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) | 0.37 | 3.66 | -92.49 | 5 | 4 | 2 | 71 | 207.277 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.37 | 3.21 | -47.69 | 4 | 4 | 1 | 69 | 206.269 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.