In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 34 | 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) | 3.79 | 7.17 | -20.57 | 2 | 8 | 0 | 106 | 485.606 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.79 | 6.76 | -45.08 | 1 | 8 | -1 | 108 | 484.598 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.