UCSF

ZINC22919377

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 Yes

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N-[(2-methylthiazol-5-yl) 1-[(2S)-1-ethylpyrrolidin-2-yl]-…

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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 11.06 -81.72 2 5 2 34 396.645 10 ↓
Hi High (pH 8-9.5) 2.21 8.66 -36.98 1 5 1 33 395.637 10 ↓
Hi High (pH 8-9.5) 2.21 8.68 -32.74 1 5 1 33 395.637 10 ↓

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