UCSF

ZINC66378087

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 21 Yes

Popular Name: (2S,6R)-2,6-dimethyl-4-[[(2S)-1-[[(2S)-tetrahydropyran-2-yl]methyl]pyrrolidin-2-yl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(2S)-1-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.21 7.21 -30.75 1 4 1 26 297.463 4 ↓
Hi High (pH 8-9.5) 2.21 4.86 -2.61 0 4 0 25 296.455 4 ↓
Lo Low (pH 4.5-6) 2.21 9.11 -113.94 2 4 2 27 298.471 4 ↓

Activity (Go SEA)

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