UCSF

ZINC34335927

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 34 Yes

Popular Name: 7-[(3R)-4-benzyl-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-quinoline-3-carb 7-[(3R)-4-benzyl-3-methyl-pipera…

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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) 4.19 14.26 -65.7 0 6 -1 69 462.545 5 ↓
Mid Mid (pH 6-8) 4.19 16.45 -103.43 1 6 0 70 463.553 5 ↓
Mid Mid (pH 6-8) 4.19 12.26 -15.02 1 6 0 66 463.553 5 ↓
Lo Low (pH 4.5-6) 4.19 14.45 -58.66 2 6 1 67 464.561 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0287951A2; EP0287951B1; EP0565132A3; EP0823413A3 IBM Patent Data

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