UCSF

ZINC03150786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 No

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) 3.02 -0.87 -35.28 1 9 0 133 320.286 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-2-O Leishmania Donovani (cluster #2 Of 8), Other Other 2780 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 2780 0.35 Functional ≤ 10μM

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