In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 34 | 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) | 4.08 | -0.37 | -46.31 | 2 | 7 | 1 | 80 | 465.57 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.05 | -0.55 | -48.83 | 1 | 7 | 1 | 77 | 465.57 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.