UCSF

ZINC38140992

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 24 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) 8.53 14 -6.32 1 2 0 29 337.592 15

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NAAA-1-E N-acylsphingosine-amidohydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 4500 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NAAA_HUMAN Q02083 N-acylsphingosine-amidohydrolase, Human 4500 0.31 Binding ≤ 10μM

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