In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 43 | 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) | 4.85 | 13.69 | -24.18 | 2 | 9 | 0 | 125 | 576.653 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.31 | 11.74 | -56.44 | 1 | 9 | -1 | 128 | 575.645 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.