UCSF

ZINC37831717

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1S,2S)-2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]cyclohexanecarboxylic (1S,2S)-2-[(9aR)-1,3,4,6,7,8,9,9…

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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) 1.85 8.86 -69.26 1 5 0 65 294.395 2 ↓
Mid Mid (pH 6-8) 1.85 6.62 -59.77 0 5 -1 64 293.387 2 ↓
Lo Low (pH 4.5-6) 1.85 6.9 -41.64 2 5 1 62 295.403 2 ↓

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