UCSF

ZINC95098851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 28 No

CAS Number: 83-44-3

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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) 4.25 7.06 -47.99 2 4 -1 81 391.572 4
Lo Low (pH 4.5-6) 4.25 5.08 -7.16 3 4 0 78 392.58 4

Vendor Notes

Note Type Comments Provided By
Target Multidrug resistance protein 1(P08183)&Fatty acid synthase(P49327)&Peroxisome proliferator-activated receptor gamma(P37231)&Extracellular matrix protein 1(Q16610)&Ferritin, mitochondrial(Q8N4E7)&DNA fragmentation factor subunit beta(O76075)&Low-density li Herbal Ingredients Targets

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.