UCSF

ZINC26508878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 34 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) 2.70 6.64 -14.58 4 9 0 134 485.666 16

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATD-1-E Cathepsin D (cluster #1 Of 1), Eukaryotic Eukaryotes 220 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATD_BOVIN P80209 Cathepsin D, Bovin 220 0.27 Binding ≤ 1μM
CATD_BOVIN P80209 Cathepsin D, Bovin 220 0.27 Binding ≤ 10μM

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