UCSF

ZINC00586000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

CAS Number: 476-28-8

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) 0.54 2.09 -46.66 3 5 1 63 288.323 0
Mid Mid (pH 6-8) 0.54 0.64 -8.56 2 5 0 62 287.315 0

Vendor Notes

Note Type Comments Provided By
Target Transcription factor AP-1(P05412)&Mitogen-activated protein kinase 1(P28482)&Prostaglandin G/H synthase 2(P35354)&72 kDa type IV collagenase(P08253)&Matrix metalloproteinase-9(P14780)&Mu-type opioid receptor(P35372)&Neuropeptide Y(P01303)&Hypoxia-inducibl Herbal Ingredients Targets

Activity (Go SEA)

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

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