In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 41 | 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) | 5.33 | 9.21 | -52.22 | 5 | 9 | 1 | 114 | 559.735 | 16 | ↓ |
Hi High (pH 8-9.5) | 5.33 | 7.86 | -18.17 | 4 | 9 | 0 | 109 | 558.727 | 16 | ↓ |
No pre-computed analogs available. Try a structural similarity search.