In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 45 | No |
None
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 | 6.33 | -48.11 | 7 | 11 | 1 | 154 | 616.787 | 17 | ↓ |
Mid Mid (pH 6-8) | 4.86 | 5.96 | -20.15 | 6 | 11 | 0 | 153 | 615.779 | 17 | ↓ |
No pre-computed analogs available. Try a structural similarity search.