In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2011 | 38 | 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) | -4.86 | -5.69 | -163.87 | 7 | 20 | -2 | 314 | 585.312 | 8 | ↓ |
Hi High (pH 8-9.5) | -4.86 | -3.4 | -231.39 | 6 | 20 | -3 | 317 | 584.304 | 8 | ↓ |
Hi High (pH 8-9.5) | -4.86 | -4.1 | -234.15 | 6 | 20 | -3 | 317 | 584.304 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.