UCSF

ZINC28654890

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 24 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) 0.61 4.16 -44.2 4 6 1 82 325.392 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102235-1-O Plasma (cluster #1 Of 1), Other Other 294 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102235 Z102235 Plasma 112 0.41 Functional ≤ 10μM

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