In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 17 | 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) | 3.07 | -0.6 | -9.96 | 1 | 4 | 0 | 51 | 248.669 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | -0.9 | -26.35 | 2 | 4 | 1 | 52 | 249.677 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.