In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 31 | 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) | -0.04 | -7.07 | -17.89 | 7 | 10 | 0 | 177 | 434.397 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.04 | -6.08 | -67.97 | 6 | 10 | -1 | 180 | 433.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.