UCSF

ZINC34582301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 9 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.57 3.11 -1.76 1 1 0 20 128.215 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4260845 IBM Patent Data

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