UCSF

ZINC13522213

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 16 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) -1.12 2.87 -261.06 9 4 4 77 234.432 13
Hi High (pH 8-9.5) -1.12 1.13 -98.43 7 4 2 71 232.416 13
Hi High (pH 8-9.5) -1.12 1.14 -83.42 7 4 2 71 232.416 13
Mid Mid (pH 6-8) -1.12 2.49 -174.28 8 4 3 76 233.424 13

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 330 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 1700 0.50 Functional ≤ 10μM

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