UCSF

ZINC66884775

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.42 5.76 -15.68 1 6 0 56 386.54 5 ↓
Lo Low (pH 4.5-6) 2.42 8.02 -38.56 2 6 1 57 387.548 5 ↓

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

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