UCSF

ZINC28711013

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 23 Yes

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) 2.90 7.95 -37.24 2 3 1 28 313.465 9
Hi High (pH 8-9.5) 2.90 8.1 -40.65 2 3 1 28 313.465 9
Hi High (pH 8-9.5) 2.90 5.74 -4.93 1 3 0 27 312.457 9

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 7700 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3700 0.33 Functional ≤ 10μM

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