UCSF

ZINC03943602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 40 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) 4.71 2.16 -54.76 1 12 -1 152 565.632 14
Mid Mid (pH 6-8) 4.71 2.33 -65.25 2 12 0 153 566.64 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5616599; US5646171 IBM Patent Data

Activity (Go SEA)

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