In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 40 | 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) | 7.34 | 13.29 | -55.05 | 1 | 8 | -1 | 119 | 557.696 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.34 | 13.37 | -22.97 | 2 | 8 | 0 | 117 | 558.704 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.