UCSF

ZINC02579437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

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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) 2.99 6.73 -7.93 0 3 0 39 215.252 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5210077 IBM Patent Data

Activity (Go SEA)

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