In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 35 | 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) | 3.85 | 9.05 | -26.04 | 3 | 10 | 0 | 131 | 477.521 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.85 | 8.74 | -46.81 | 4 | 10 | 1 | 132 | 478.529 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.