In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
None
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) | 4.86 | 10.87 | -11.14 | 0 | 7 | 0 | 89 | 448.5 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.86 | 13.72 | -60.63 | 1 | 7 | 1 | 90 | 449.508 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.