UCSF

ZINC00210586

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: CID 755673 CID 755673

Find On: PubMed — Wikipedia — Google

CAS Numbers: 521937-07-5 , [521937-07-5]

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) 1.68 2.26 -14.82 2 4 0 62 217.224 0 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 182 0.59 Binding ≤ 10μM
PKD2-1-E Polycystin-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 280 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 182 0.59 Binding ≤ 1μM
PKD2_HUMAN Q13563 Polycystin-2, Human 280 0.57 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 182 0.59 Binding ≤ 10μM
PKD2_HUMAN Q13563 Polycystin-2, Human 280 0.57 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.