UCSF

ZINC00168695

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 1-Isopropyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 1-Isopropyl-4-oxo-1,4-dihydro-3-…

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CAS Numbers: 53977-47-2 , [53977-47-2]

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) 1.18 7.48 -71.63 0 4 -1 62 230.243 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 200 - 203 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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