In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 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) | 4.28 | 8.72 | -16.07 | 2 | 7 | 0 | 85 | 470.573 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.28 | 9.51 | -52.18 | 3 | 7 | 1 | 89 | 471.581 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.