UCSF

ZINC03933046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 24 No

CAS Numbers: 241800-97-5 , 241800-98-6 , 249296-45-5

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) 0.79 5.41 -14.4 4 7 0 112 320.356 3
Hi High (pH 8-9.5) 0.79 5.75 -46.69 3 7 -1 110 319.348 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 59 0.42 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hyaluronan uptake and degradation
Sodium/Proton exchangers

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