UCSF

ZINC66884511

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 28 Yes

Popular Name: (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N,N-diethyl-propanamide (2S)-2-[4-[2-(3,4-dihydro-2H-qui…

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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) 2.23 7.1 -13.03 0 6 0 47 386.54 6 ↓
Lo Low (pH 4.5-6) 2.23 9.51 -41.02 1 6 1 48 387.548 6 ↓

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

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