UCSF

ZINC03999904

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 Yes

Popular Name: Numoquin hydrochloride Numoquin hydrochloride

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CAS Numbers: 3413-58-9 , 522-60-1

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) 3.67 -1.75 -35.55 2 4 1 46 341.475 5 ↓
Lo Low (pH 4.5-6) 3.67 -1.65 -94.66 3 4 2 48 342.483 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 240? dec. Alfa-Aesar
Melting_Point ca 240° dec. Alfa-Aesar

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