UCSF

ZINC11536048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 13 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) 2.33 5.13 -10.67 3 3 0 50 193.275 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 6800 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80035 Z80035 B16 (Melanoma Cells) 6800 0.56 Functional ≤ 10μM

Rings

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