UCSF

ZINC38155240

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 20 Yes

Popular Name: 1-benzhydryl-2-chloro-benzene 1-benzhydryl-2-chloro-benzene

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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) 5.73 12.23 -3.49 0 0 0 0 278.782 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80951-2-O NIH3T3 (Fibroblasts) (cluster #2 Of 4), Other Other 3900 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80951 Z80951 NIH3T3 (Fibroblasts) 3900 0.38 Functional ≤ 10μM

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

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