In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 5.04 | 10.83 | -10.89 | 0 | 5 | 0 | 56 | 440.543 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.04 | 11.29 | -42.37 | 1 | 5 | 1 | 57 | 441.551 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.