UCSF

ZINC28821483

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 38 Yes

CAS Number: 886465-70-9

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) 6.96 19.57 -76.9 2 4 2 27 512.738 12
Hi High (pH 8-9.5) 6.96 17.01 -37.27 1 4 1 26 511.73 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 4000 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 3000 0.20 Functional ≤ 10μM

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