UCSF

ZINC26983864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 15 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) 3.85 6.93 -36.16 2 1 1 17 206.353 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101821-2-O H2N2 Subtype (cluster #2 Of 3), Other Other 1000 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101821 Z101821 H2N2 Subtype 1000 0.56 Functional ≤ 10μM

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