UCSF

ZINC14180779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 18 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) 3.01 10.08 -7.45 0 5 0 64 243.266 3
Mid Mid (pH 6-8) 3.01 10.51 -39.16 1 5 1 65 244.274 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50468-1-O Giardia Intestinalis (cluster #1 Of 4), Other Other 162 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50468 Z50468 Giardia Intestinalis 162 0.53 Functional ≤ 10μM

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