In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 39 | 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) | 6.23 | 10.66 | -18.39 | 1 | 8 | 0 | 96 | 528.605 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.23 | 11.5 | -61.85 | 0 | 8 | -1 | 98 | 527.597 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.