In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 41 | 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) | 8.71 | 14.52 | -48.61 | 1 | 8 | -1 | 110 | 573.787 | 9 | ↓ |
Mid Mid (pH 6-8) | 8.71 | 14.59 | -20.12 | 2 | 8 | 0 | 108 | 574.795 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.