In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 15 | Yes |
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) | 0.66 | 1.87 | -37.4 | 4 | 4 | 1 | 69 | 213.301 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 0.95 | -6.52 | 3 | 4 | 0 | 64 | 212.293 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.