| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2009 | 35 | Yes |
Popular Name: BAY-60-7550 BAY-60-7550
Find On: PubMed — Wikipedia — Google
CAS Numbers: 439083-90-6 , 439083-91-7
| 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) | 3.45 | 9.29 | -29.01 | 2 | 8 | 0 | 102 | 476.577 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 8.31 | -47.42 | 1 | 8 | -1 | 105 | 475.569 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.