UCSF

ZINC01280587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 16 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) 1.36 -0.24 -16.45 1 5 0 76 214.18 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIRT1-3-E NAD-dependent Deacetylase Sirtuin 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 5300 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 5300 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Regulation of HSF1-mediated heat shock response
SIRT1 negatively regulates rRNA Expression

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