UCSF

ZINC71316087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2011 19 Yes

Popular Name: [1-[(3-chlorophenyl)methyl]indol-3-yl]methanol [1-[(3-chlorophenyl)methyl]indol…

Find On: PubMed — Wikipedia — Google

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) 3.74 7.96 -7.3 1 2 0 25 271.747 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80878-1-O NCI-H157 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other Other 200 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80878 Z80878 NCI-H157 (Non-small Cell Lung Carcinoma Cells) 200 0.49 Functional ≤ 10μM

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

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