In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 35 | No |
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) | 5.03 | 11.56 | -69.04 | 1 | 5 | -1 | 86 | 482.685 | 1 | ↓ |
Lo Low (pH 4.5-6) | 5.03 | 9.59 | -20.21 | 2 | 5 | 0 | 83 | 483.693 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.