In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 35 | 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) | 3.52 | 10.01 | -23.04 | 3 | 8 | 0 | 128 | 487.537 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 10.04 | -45.79 | 2 | 8 | -1 | 125 | 486.529 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.