UCSF

ZINC00022752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) -1.28 -6 -28.49 3 7 0 101 288.304 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50755-1-O Anas Sp. (cluster #1 Of 1), Other Other 2000 0.42 Functional ≤ 10μM
Z80295-2-O MT4 (Lymphocytes) (cluster #2 Of 8), Other Other 10000 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50755 Z50755 Anas Sp. 2000 0.42 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 10000 0.37 Functional ≤ 10μM

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