In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 9th, 2009 | 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) | 5.48 | 12.35 | -66.22 | 0 | 7 | -1 | 100 | 483.525 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.48 | 11.53 | -19.37 | 1 | 7 | 0 | 97 | 484.533 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.