UCSF

ZINC95098818

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 30 Yes

CAS Number: 107438-79-9

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.38 0.87 -18.9 3 10 0 149 424.402 1
Hi High (pH 8-9.5) -2.38 -0.05 -63.73 2 10 -1 152 423.394 1
Hi High (pH 8-9.5) -2.38 1.76 -59.53 2 10 -1 152 423.394 1

Vendor Notes

Note Type Comments Provided By
Target Aryl hydrocarbon receptor(P35869) Herbal Ingredients Targets

Activity (Go SEA)

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

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