UCSF

ZINC00520300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Other Names:

MFCD03680993

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) 3.79 4.93 -9 1 2 0 33 227.288 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 50 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80244 Z80244 MDA-MB-468 (Breast Adenocarcinoma) 50 0.64 Functional ≤ 10μM

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