In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 39 | 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) | 7.50 | 13.71 | -48.22 | 1 | 8 | -1 | 110 | 545.733 | 14 | ↓ |
Mid Mid (pH 6-8) | 7.50 | 13.78 | -20.55 | 2 | 8 | 0 | 108 | 546.741 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.