UCSF

ZINC05956910

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 26 No

Popular Name: KF 38789 KF 38789

Find On: PubMed — Wikipedia — Google

CAS Number: 257292-29-8

Other Names:

KF-38789

MFCD00543709

Download: MOL2 SDF SMILES Flexibase

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) 2.96 5.79 -48.54 0 6 -1 84 374.438 4 ↓
Mid Mid (pH 6-8) 2.75 4.86 -18.19 1 6 0 81 375.446 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80712-2-O T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other Other 410 0.34 Functional ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 560 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 560 0.34 Functional ≤ 10μM
Z80712 Z80712 T47D (Breast Carcinoma Cells) 410 0.34 Functional ≤ 10μM

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

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