In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 32 | 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) | 1.44 | 6.52 | -51.63 | 2 | 10 | 1 | 146 | 473.512 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 6.45 | -20.3 | 1 | 10 | 0 | 145 | 472.504 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.