In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2008 | 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) | 0.92 | -0.74 | -5.54 | 0 | 3 | 0 | 31 | 165.192 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | -0.63 | -30.61 | 1 | 3 | 1 | 33 | 166.2 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.