UCSF

ZINC27753420

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 18 No

Popular Name: 3-(4-tert-butylphenyl)-1-[(2R)-2-chloropropyl]urea 3-(4-tert-butylphenyl)-1-[(2R)-2…

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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) 4.12 6.55 -10.71 2 3 0 41 268.788 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-10-O L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other Other 6000 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 6000 0.41 Functional ≤ 10μM

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