In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 34 | 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) | 5.45 | 11.85 | -49.79 | 0 | 6 | -1 | 88 | 467.526 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 13.62 | -13.68 | 1 | 6 | 0 | 85 | 468.534 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.