UCSF

ZINC69078360

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: 1-[[(2R)-1-[[(2S)-tetrahydropyran-2-yl]methyl]pyrrolidin-2-yl]methyl]piperidine 1-[[(2R)-1-[[(2S)-tetrahydropyra…

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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) 2.55 7.85 -27.41 1 3 1 17 267.437 4 ↓
Mid Mid (pH 6-8) 2.55 9.7 -100.95 2 3 2 18 268.445 4 ↓

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