UCSF

ZINC38166921

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2010 34 No

CAS Number: 471-53-4

Other Names:

BRD-A20200672-001-02-2

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) 5.62 11.52 -62.01 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.53 -15.88 2 4 0 75 470.694 1

Vendor Notes

Note Type Comments Provided By
Therapy antitussive, antiinflammatory, antibacterial SMDC Pharmakon

Activity (Go SEA)

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