In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 41 | 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) | 1.18 | 7.77 | -20.38 | 1 | 15 | 0 | 173 | 589.591 | 12 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 8.82 | -55.08 | 2 | 15 | 1 | 177 | 590.599 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.