UCSF

ZINC19735364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 11 Yes

CAS Numbers: 56709-51-4 , 942205-82-5

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Annotations

None

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) -0.11 -0.03 -36.48 3 3 1 37 159.253 3
Mid Mid (pH 6-8) -0.11 -1.1 -35.48 3 3 1 40 159.253 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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