UCSF

ZINC55052645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: (3S)-1-(2-amino-2-oxo-ethyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]piperidine-3-c (3S)-1-(2-amino-2-oxo-ethyl)-N-[…

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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) -0.53 3.08 -48.88 4 8 1 107 351.456 6 ↓
Mid Mid (pH 6-8) -0.53 0.9 -21.92 3 8 0 106 350.448 6 ↓
Lo Low (pH 4.5-6) -0.53 3.51 -81.3 5 8 2 108 352.464 6 ↓

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

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