In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 33 | Yes |
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 | 9.09 | -67.91 | 1 | 10 | -1 | 143 | 487.539 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 6.63 | -128.25 | 0 | 10 | -2 | 146 | 486.531 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.