UCSF

ZINC17654196

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 33 No

Popular Name: 1-O-Palmityl-2-O-methyl-DL-glycero-3-phosphocholine 1-O-Palmityl-2-O-methyl-DL-glyce…

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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) 2.80 17.14 -48.93 0 7 0 77 495.682 25 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-4-O Leishmania Donovani (cluster #4 Of 8), Other Other 3580 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 3580 0.23 Functional ≤ 10μM

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