UCSF

ZINC04365786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 22 Yes

Other Names:

MFCD18429636

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) 1.55 4.92 -16.6 2 5 0 71 293.326 2
Lo Low (pH 4.5-6) 1.55 5.3 -35.55 3 5 1 72 294.334 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50417-3-O Leishmania Infantum (cluster #3 Of 4), Other Other 4500 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50417 Z50417 Leishmania Infantum 4500 0.34 Functional ≤ 10μM

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