In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 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) | 3.33 | 12.7 | -35.05 | 1 | 8 | 0 | 91 | 487.585 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 13.14 | -48.45 | 2 | 8 | 1 | 92 | 488.593 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.