UCSF

ZINC08698272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 20 Yes

CAS Numbers: 70-00-8 , [70-00-8]

Other Names:

MFCD00006534

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) -0.99 -5.24 -19.94 3 7 0 104 296.201 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50681-1-O Duck Hepatitis B Virus (cluster #1 Of 2), Other Other 3370 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50681 Z50681 Duck Hepatitis B Virus 3370 0.38 Functional ≤ 10μM

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