UCSF

ZINC58308313

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 Yes

Popular Name: 1-ethylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine 1-ethylsulfonyl-N-[[(6S)-4,5,6,7…

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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) 0.56 2.67 -63.98 3 7 1 84 328.462 5 ↓
Hi High (pH 8-9.5) 0.56 1.64 -14.66 2 7 0 79 327.454 5 ↓
Mid Mid (pH 6-8) 0.56 2.83 -108.98 4 7 2 85 329.47 5 ↓

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

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