UCSF

ZINC00057235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

CAS Numbers: 3563-77-7 , 636-54-4

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) 0.99 2.32 -16.87 3 6 0 93 345.852 3

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
mechanism Acts at the Proximal Convoluted tubule site of the nephron IBScreen Bioactives
biological_use Antihypertensive IBScreen Bioactives
biological_use Diuretic IBScreen Bioactives IBScreen Bioactives
mechanism Inhibitor of the sodium-chloride cotransport IBScreen Bioactives IBScreen Bioactives
mechanism intereferes with the reabsorption of NaCl and thus causing an equiosmolar excretion of water along with NaCl IBScreen Bioactives
mechanism Selectively binds at the chloride binding site of the sodium chloride cotransporter in the PCT cells on the luminal side and thus IBScreen Bioactives

Activity (Go SEA)

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