In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 32 | 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) | 4.11 | 8.13 | -22.18 | 0 | 9 | 0 | 104 | 470.791 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 9.24 | -44.78 | 1 | 9 | 1 | 105 | 471.799 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.