UCSF

ZINC28880505

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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) 2.80 10.35 -41.92 1 4 1 26 351.47 2
Mid Mid (pH 6-8) 2.80 7.98 -7.5 0 4 0 25 350.462 2
Mid Mid (pH 6-8) 2.80 8.64 -40.23 1 4 1 26 351.47 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-1-O L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other Other 5100 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 5100 0.28 Functional ≤ 10μM

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