In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2011 | 12 | 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) | 0.34 | -0.81 | -8.4 | 3 | 5 | 0 | 81 | 164.168 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.34 | -0.85 | -29.92 | 4 | 5 | 1 | 82 | 165.176 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.