UCSF

ZINC80035071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 24 Yes

Other Names:

MFCD00157629

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.30 12.46 -5.69 1 2 0 29 321.464 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0421441A2; EP0421441B1 IBM Patent Data
PUBCHEM_PATENT_ID US5120738 IBM Patent Data

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

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