In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 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) | 2.52 | 7.86 | -46.72 | 3 | 9 | 1 | 101 | 461.631 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.54 | -13.39 | 2 | 9 | 0 | 100 | 460.623 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.