UCSF

ZINC02037170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 22 No

CAS Number: 5588-16-9

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) 1.10 -2.27 -17.08 4 7 0 118 383.904 5
Hi High (pH 8-9.5) 1.10 -2.56 -44.98 3 7 -1 120 382.896 5

Vendor Notes

Note Type Comments Provided By
Therapy diuretic SMDC Pharmakon

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

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