In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 34 | No |
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) | 1.96 | 7.61 | -18.89 | 2 | 8 | 0 | 81 | 486.569 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 9.59 | -57.18 | 3 | 8 | 1 | 82 | 487.577 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.