UCSF

ZINC36325787

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 Yes

Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3R)-3-ethylmorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…

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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) 2.27 2.55 -51.35 3 3 1 40 320.276 4 ↓
Hi High (pH 8-9.5) 2.27 2.2 -2.91 2 3 0 38 319.268 4 ↓

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