UCSF

ZINC05752353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 No

Popular Name: serpentine serpentine

Find On: PubMed — Wikipedia — Google

CAS Number: 18786-24-8

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) -0.84 1.48 -37.04 1 5 1 55 349.41 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links APJA_XENLA; GPR56_MOUSE; ODR10_CAEBR; ODR10_CAEEL; SRA10_CAEBR; SRA10_CAEEL; SRA11_CAEBR; SRA11_CAEEL; SRA12_CAEBR; SRA12_CAEEL; SRA13_CAEBR; SRA13_CAEEL; SRA17_CAEEL; SRA18_CAEEL; SRA1_CAEEL; SRA20_CAEEL; SRA21_CAEEL; SRA22_CAEEL; SRA23_CAEEL; SRA24_CAEE ChEBI
Patent Database Links WO2007133771 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic Eukaryotes 2200 0.30 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP2D6_HUMAN P10635 Cytochrome P450 2D6, Human 2200 0.30 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CYP2E1 reactions
Fatty acids
Miscellaneous substrates
Xenobiotics

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