UCSF

ZINC43640894

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 27 No

Popular Name: (2S)-2-(hexadecylamino)-3-phenyl-propan-1-ol (2S)-2-(hexadecylamino)-3-phenyl…

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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) 8.56 14.33 -34.08 3 2 1 37 376.649 19 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80224-6-O MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other Other 5000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 5000 0.27 Functional ≤ 10μM

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