UCSF

ZINC59834352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 23 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) 5.09 11.31 -11.42 0 5 0 56 327.465 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0338508A2; US5043346 IBM Patent Data

Activity (Go SEA)

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