UCSF

ZINC03977913

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 29 No

CAS Number: 52-01-7

Other Names:

ALDACTONE

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) 3.03 2.61 -19.33 0 4 0 60 416.583 2

Vendor Notes

Note Type Comments Provided By
Therapy diuretic SMDC Pharmakon
therap diuretic, aldosterone antagonist MicroSource Spectrum

Activity (Go SEA)

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