UCSF

ZINC02528004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 29 No

Other Names:

MFCD00060033

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) 2.53 14.68 -22.13 0 4 1 35 375.455 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 230 0.32 Functional ≤ 10μM
Z80088-3-O CHO (Ovarian Cells) (cluster #3 Of 3), Other Other 7000 0.25 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 230 0.32 Functional ≤ 10μM
Z80088 Z80088 CHO (Ovarian Cells) 7000 0.25 ADME/T ≤ 10μM

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

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