UCSF

ZINC06529560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 19 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) 1.81 -0.83 -74.51 2 4 -1 79 276.252 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPAP-1-E Prostatic Acid Phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.62 Binding ≤ 10μM
PPAP-1-E Prostatic Acid Phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPAP_HUMAN P15309 Prostatic Acid Phosphatase, Human 198 0.49 Binding ≤ 1μM
PPAP_HUMAN P15309 Prostatic Acid Phosphatase, Human 198 0.49 Binding ≤ 10μM

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