UCSF

ZINC13803820

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 No

CAS Numbers: 7280-37-7 , [7280-37-7]

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) 0.72 6.09 -49.54 0 4 -1 74 333.429 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0375347A1; EP0375347B1; US4970205 IBM Patent Data

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

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