UCSF

ZINC18275505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 19 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) -1.31 -6.92 -15.02 6 9 0 150 267.245 2
Lo Low (pH 4.5-6) -1.31 -11.19 -40.6 7 9 1 152 268.253 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4028184 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 200 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 1000 0.44 Functional ≤ 10μM

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