UCSF

ZINC42989226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 4.16 9.34 -4.98 0 1 0 9 224.303 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 230 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50622 Z50622 Human Rhinovirus 1B 230 0.55 Functional ≤ 10μM

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