UCSF

ZINC13676384

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 36 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) 3.68 9.33 -55.88 4 8 1 115 509.7 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100750-1-O Osteoclasts (cluster #1 Of 1), Other Other 19 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100750 Z100750 Osteoclasts 19 0.30 Functional ≤ 10μM

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