UCSF

ZINC02575146

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 35 No

Popular Name: 56073-10-0; Brodifacoum; C18694 56073-10-0; Brodifacoum; C18694

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CAS Number: 56073-10-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 8.14 17.33 -48.75 0 3 -1 53 522.418 3 ↓
Mid Mid (pH 6-8) 8.14 16.73 -16.3 1 3 0 50 523.426 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0098629A1; EP0147052A2; EP0147052B1; EP0211004A1; EP0225795A2; EP0317260A2; EP0347227A1; EP0347227B1; EP0372796A2; EP0392935A1; EP0475551A3; EP0485207B1; EP0681577A1; EP0681577B1; EP0772391B1; EP0808568A1; EP1061801A1; US4269820; US4520007; US4748185; U IBM Patent Data

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.